3SVN

Crystal structure of mKate S158A mutant at pH 7.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	140
Detector technology	CCD
Collection date	2010-02-11
Detector	ADSC QUANTUM 210
Wavelength(s)	0.978
Spacegroup name	I 41
Unit cell lengths	161.328, 161.328, 76.183
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.933 - 1.899
R-factor	0.1742
Rwork	0.172
R-free	0.22120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.098
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.6.1_357))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.990
High resolution limit [Å]	1.900	1.900
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298.15	0.1M Tris-HCl, 0.25M ammonium citrate dibasic, 22% PEG3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.15K