Experiment: 2FDN

X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
ID	Method	pH	Temperature	Details
1		7		55-60% AMMONIUM SULFATE, 100 MM TRISMALEATE PH 6.6-7.0 MIXED 1:1 WITH 10 MG/ML PROTEIN SOLUTION.

Crystal Properties
Matthews coefficient	Solvent content
1.85	35

Crystal Data

Unit Cell
Length ( Å )	Angle ( ˚ )
a = 33.95	α = 90
b = 33.95	β = 90
c = 74.82	γ = 90

Symmetry
Space Group	P 43 21 2

Diffraction

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	100	IMAGE PLATE	MARRESEARCH	MIRRORS	1995-08-01	M

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	EMBL/DESY, HAMBURG BEAMLINE BW7B		EMBL/DESY, HAMBURG	BW7B

Data Collection

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Merge I (Observed)	R Sym I (Observed)	Net I Over Average Sigma (I)	Redundancy	Number Reflections (All)	Number Reflections (Observed)	Observed Criterion Sigma (F)	Observed Criterion Sigma (I)	B (Isotropic) From Wilson Plot
1	0.94	20	98.7	0.073	0.073	15	4		28084

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R Merge I (Observed)	R-Sym I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
	0.94	0.95	93.7		0.483	0.483	2	4

Refinement

Statistics
Diffraction ID	Structure Solution Method	Resolution (High)	Resolution (Low)	Number Reflections (All)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (Observed)	R-Work	R-Free	Mean Isotropic B
X-RAY DIFFRACTION	TAKEN FROM PDB ENTRY 1FDN	0.94	20	47452		98.7	0.1003

Temperature Factor Modeling
Anisotropic B[1][1]	Anisotropic B[1][2]	Anisotropic B[1][3]	Anisotropic B[2][2]	Anisotropic B[2][3]	Anisotropic B[3][3]

Coordinate Error
Structure Solution Method	Refinement High Resolution	Refinement Low Resolution
6	272	472

RMS Deviations
Key	Refinement Restraint Deviation
s_non_zero_chiral_vol	0.36
s_approx_iso_adps	0.075
s_angle_d	0.038
s_similar_adp_cmpnt	0.033
s_bond_d	0.027
s_from_restr_planes	0.017
s_rigid_bond_adp_cmpnt	0.006
s_similar_dist
s_zero_chiral_vol
s_anti_bump_dis_restr

Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen Atoms	Number
Protein Atoms	381
Nucleic Acid Atoms
Solvent Atoms	96
Heterogen Atoms	16

Software

Software
Software Name	Purpose
SHELX	model building
SHELX	refinement
DENZO	data reduction
SCALEPACK	data scaling
SHELX	phasing

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.