4JCM

Crystal structure of Gamma-CGTASE from Alkalophilic bacillus clarkii at 1.65 Angstrom resolution

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	2010-06-22
Detector	RAYONIX MX-225
Wavelength(s)	0.979
Spacegroup name	H 3
Unit cell lengths	205.736, 205.736, 43.504
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.650 - 1.650
R-factor	0.129
Rwork	0.127
R-free	0.13390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cdg
RMSD bond length	0.005
RMSD bond angle	0.960
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MLPHARE
Refinement software	PHENIX ((PHENIX.REFINE: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.710
High resolution limit [Å]	1.650	1.650
Rmerge	0.093
Number of reflections	82111
Completeness [%]	95.2	100
Redundancy	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	0.1M BICINE PH9.0, 2.0M (NH4)2SO4, 0.05M NACL, VAPOR DIFFUSION, SITTING DROP, temperature 293K