4NBU

Crystal structure of FabG from Bacillus sp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	298
Detector technology	CCD
Collection date	2012-09-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	P 1
Unit cell lengths	63.412, 68.774, 70.000
Unit cell angles	67.85, 88.65, 62.64

Refinement procedure

Resolution	23.320 - 1.340
R-factor	0.1558
Rwork	0.156
R-free	0.16440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q7b
RMSD bond length	0.006
RMSD bond angle	1.137
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: dev_1405))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.320	1.373
High resolution limit [Å]	1.340	1.340
Number of reflections	201546
Completeness [%]	93.7	93.68

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.2 M Sodium citrate and 20% PEG 3,350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K