3NUH

A domain insertion in E. coli GyrB adopts a novel fold that plays a critical role in gyrase function

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-22
Detector	ADSC Q315r
Wavelength(s)	0.97920
Spacegroup name	C 2 2 21
Unit cell lengths	108.062, 147.493, 138.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.600 - 3.103
R-factor	0.238
Rwork	0.234
R-free	0.28200
Structure solution method	MR-SAD
Starting model (for MR)	The structure was solved as a combination of MR and SAD method. The starting model used corresponds to PDB ID 1AB4.
RMSD bond length	0.003
RMSD bond angle	0.618
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.600	3.200
High resolution limit [Å]	3.100	3.100
Number of reflections	20320
<I/σ(I)>		3.8
Completeness [%]	99.6	99.6
Redundancy	5	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	8	291	90 mM imidazole pH 8.0, 11% isopropanol, 18 mM magnesium chloride, 10 mM spermidine, 3% pentaerythritol ethoxylate 15/4, hanging drop, temperature 291K