3R9Y

Crystal Structure of StWhy2 K67A (form I)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-19
Detector	RAYONIX MX-300
Wavelength(s)	0.98
Spacegroup name	F 4 3 2
Unit cell lengths	168.365, 168.365, 168.365
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.626 - 2.350
R-factor	0.2263
Rwork	0.224
R-free	0.26640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3n1h
RMSD bond length	0.005
RMSD bond angle	0.894
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.480
High resolution limit [Å]	2.350	7.430	2.350
Number of reflections	9012
<I/σ(I)>	31
Completeness [%]	100.0	99.5	100
Redundancy	22.3	18.7	18.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	100mM MOPS pH7.0, 24% PEG1000, 100mM NH4H2PO4, vapor diffusion, hanging drop, temperature 298K