1AXI

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	streak seeding	6.5		CRYSTALLIZED BY STREAK SEEDING AT 5MG/ML COMPLEX IN 50MM BIS-TRIS (PH 6.5) 20% SATURATED AMMONIUM SULFATE, streak seeding

Crystal Properties
Matthews coefficient	Solvent content
2.98	51.37

Symmetry
Space Group	P 43 21 2

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	100	CCD	ADSC		1996-05-05	M

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	CHESS BEAMLINE F1		CHESS	F1

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	2.1	100	91.8	0.057	0.057		4.7		28276			16

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R Merge I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	2.1	2.18	51.3		0.125	7.4	2.3

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Starting model	Resolution (High)	Resolution (Low)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Work	R-Free	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	THROUGHOUT	HGH(G120R):HGHBP STRUCTURE (IN PREPARATION)	2.1	7	26402	2112		0.19	0.262	RANDOM

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]
-4					8

RMS Deviations
Key	Refinement Restraint Deviation
p_transverse_tor	27.1
p_staggered_tor	19.8
p_planar_tor	4.3
p_scangle_it	4.27
p_mcangle_it	3.17
p_scbond_it	2.92
p_mcbond_it	2.24
p_multtor_nbd	0.24
p_xyhbond_nbd	0.2
p_singtor_nbd	0.18

RMS Deviations
Key	Refinement Restraint Deviation
p_transverse_tor	27.1
p_staggered_tor	19.8
p_planar_tor	4.3
p_scangle_it	4.27
p_mcangle_it	3.17
p_scbond_it	2.92
p_mcbond_it	2.24
p_multtor_nbd	0.24
p_xyhbond_nbd	0.2
p_singtor_nbd	0.18
p_chiral_restr	0.14
p_planar_d	0.037
p_angle_d	0.035
p_plane_restr	0.03
p_bond_d	0.014
p_angle_deg
p_hb_or_metal_coord
p_xhyhbond_nbd
p_orthonormal_tor
p_special_tor