1NGP

X-RAY DIFFRACTION

Crystal Properties
Matthews coefficient	Solvent content
3.27	62.5

Symmetry
Space Group	P 41 21 2

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray		IMAGE PLATE	SATOW	DOUBLE CRYSTAL MONOCHROMATOR / PT MIRROR	1994-02-22	M

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	PHOTON FACTORY		Photon Factory

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Merge 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	2.4	19	89.3	0.066		3.51		21761

Statistics
Diffraction ID	Structure Solution Method	Resolution (High)	Resolution (Low)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Work	R-Free	Mean Isotropic B
X-RAY DIFFRACTION		2.4	15	21708		89.3	0.196	0.25	26.7

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]

RMS Deviations
Key	Refinement Restraint Deviation
p_transverse_tor	22.8
p_staggered_tor	22
p_scangle_it	5.159
p_scbond_it	3.464
p_planar_tor	2.4
p_mcangle_it	1.62
p_mcbond_it	0.891
p_multtor_nbd	0.235
p_xyhbond_nbd	0.23
p_chiral_restr	0.17

RMS Deviations
Key	Refinement Restraint Deviation
p_transverse_tor	22.8
p_staggered_tor	22
p_scangle_it	5.159
p_scbond_it	3.464
p_planar_tor	2.4
p_mcangle_it	1.62
p_mcbond_it	0.891
p_multtor_nbd	0.235
p_xyhbond_nbd	0.23
p_chiral_restr	0.17
p_singtor_nbd	0.13
p_planar_d	0.049
p_angle_d	0.039
p_bond_d	0.015
p_plane_restr	0.013
p_angle_deg
p_hb_or_metal_coord
p_xhyhbond_nbd
p_orthonormal_tor
p_special_tor