3TNB

Crystal structure of GkaP mutant G209D/R230H from Geobacillus kaustophilus HTA426

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-15
Detector	RAYONIX MX-225
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	51.293, 88.800, 89.314
Unit cell angles	90.00, 98.86, 90.00

Refinement procedure

Resolution	50.000 - 1.600
R-factor	0.1781
Rwork	0.177
R-free	0.19190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3orw
RMSD bond length	0.007
RMSD bond angle	1.071
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.056	0.030	0.459
Number of reflections	103659
<I/σ(I)>	12.9
Completeness [%]	99.7	98	100
Redundancy	7.2	7.4	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	287	13% PEG 8000, 8% ethylene glycol, 2% glycerol, 0.05M sodium hepes pH7.3, vapor diffusion, hanging drop, temperature 287K