3R9Z

Crystal Structure of StWhy2 K67A (form II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-03-19
Detector	ADSC QUANTUM 315
Wavelength(s)	1.29
Spacegroup name	P 4 21 2
Unit cell lengths	90.584, 90.584, 50.933
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.846 - 1.755
R-factor	0.1933
Rwork	0.192
R-free	0.21570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3n1h
RMSD bond length	0.007
RMSD bond angle	1.000
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.755
Number of reflections	20419
<I/σ(I)>	21.5
Completeness [%]	93.8
Redundancy	12.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	100mM MOPS pH7.0, 18% PEG1000, 100mM NH4H2PO4, vapor diffusion, hanging drop, temperature 298K