4RZH

Crystal structure of FabG from Synechocystis sp. PCC 6803

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-06-06
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.0001
Spacegroup name	P 2 21 21
Unit cell lengths	47.602, 78.196, 120.856
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.815 - 2.200
R-factor	0.1745
Rwork	0.172
R-free	0.21450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mla
RMSD bond length	0.008
RMSD bond angle	1.013
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Number of reflections	23685
Completeness [%]	98.0	99.8	95
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	289	0.14M LiSO4, 0.1M Tris-Cl pH8.5, 20% PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 289 K