4PRV

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-09-03
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	88.250, 142.520, 79.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.030 - 2.000
R-factor	0.2102
Rwork	0.207
R-free	0.25870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ei1
RMSD bond length	0.018
RMSD bond angle	1.883
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	75.030	75.030	2.120
High resolution limit [Å]	2.000	5.980	2.000
Rmerge	0.068	0.019	0.583
Rmeas		0.021	0.644
Number of reflections	30053	1381	5155
<I/σ(I)>	22.15	71.35	3.32
Completeness [%]	88.2	99.9	95.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	10%(w/v) PEG20000, 20%(v/v) PEGMME550, 0.02M each carboxylic acid, 0.1M bicine/Trizma base pH 8.5, vapor diffusion, sitting drop, temperature 293.15K