ISDA: 2W21

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	5.6	?	LITHIUM SULFATE 1M, AMMONIUM SULFATE 0.5M, SODIUM SITRATE 0.1M PH 5.6

Unit Cell:

a: 141.358 Å b: 141.358 Å c: 78.373 Å α: 90.00° β: 90.00° γ: 120.00°

Symmetry:

Space Group: P 62 2 2

Crystal Properties:

Matthew's Coefficient: 4.15 Solvent Content: 70.35

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	2.95	50.00	9677	490	100.0	0.209	0.259	52.60

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
2.95	122.17	100.0	0.11	?	5.60	15.4	?	10173	?	2.0	?

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	2.95	3.11	100.0		?	1.70	15.7

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	ESRF BEAMLINE BM30A	?	ESRF	BM30A

Software