ISDA: 1MWJ

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	4.6	289	PEG4000, Sodium Acetate, pH 4.6, Microbatch, temperature 289K

Unit Cell:

a: 101.996 Å b: 101.996 Å c: 45.133 Å α: 90.00° β: 90.00° γ: 90.00°

Symmetry:

Space Group: P 42 21 2

Crystal Properties:

Matthew's Coefficient: 2.60 Solvent Content: 52.78

Refinement Statistics

Diffraction ID	Structure Solution Method	Cross Validation Method	Resolution Limit (High)	Resolution Limit (Low)	Number of Reflections (Observed)	Number of Reflections (R-free)	Percent Reflections (Observed)	R-Work	R-Free	Mean Isotropic
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	THROUGHOUT	2.85	14.97	5254	237	94.5	0.2300000	0.2520000	22.3

Data Collection

Overall

Resolution Limit (High)	Resolution Limit (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
2.85	20.0	94.5	0.0870000	0.0870000	9.7	2.3	5478	5478	0.0	2.0	38.2

Highest Resolution Shell

#	Resolution Limits (Low)	Resolution Limits (High)	Percent Possible (All)	Percent Possible (Observed)	R-Sym I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	2.85	2.95	85.7	?	0.2630000	2.0	1.8	472

Diffraction

Diffraction experiment

Crystal ID	Scattering Type	Data Collection Temprature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1		100 K

Radiation Source

Source	Type	Wavelength List	Synchrotron Site	Beamline
SYNCHROTRON	SRS BEAMLINE PX7.2	1.488	SRS	PX7.2

Software