4PRX

E. coli GyrB 43-kDa N-terminal fragment in complex with ADP+Pi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-09-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	77.640, 131.650, 92.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.190 - 1.800
R-factor	0.165
Rwork	0.163
R-free	0.20290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ei1
RMSD bond length	0.020
RMSD bond angle	2.000
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.1)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.190		1.910
High resolution limit [Å]	1.800	5.360	1.800
Rmerge	0.092	0.035	0.948
Rmeas		0.037	0.994
Number of reflections	44052	1808	7010
<I/σ(I)>	17.18	50.61	3.22
Completeness [%]	99.7	99.6	98.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	0.1M tri-ammonium citrate pH 6.5, 25%(w/v) PEG2000, vapor diffusion, sitting drop, temperature 293.15K