5CTX

Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-08-31
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	142.892, 55.655, 51.213
Unit cell angles	90.00, 100.55, 90.00

Refinement procedure

Resolution	45.010 - 1.600
R-factor	0.1867
Rwork	0.185
R-free	0.21950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kzn
RMSD bond length	0.019
RMSD bond angle	2.047
Data reduction software	d*TREK
Data scaling software	d*TREK (9.7 W8RSSI)
Phasing software	MOLREP (10.2.35)
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.010	45.010	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.046	0.026	0.297
Total number of observations	117786	12453	11092
Number of reflections	51605
<I/σ(I)>	10.4	37.6	2.3
Completeness [%]	98.8	93.9	98.4
Redundancy	2.27	2.38	2.19

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	296	40-43% MPD_P1K_P3350, 100 mM Mops/Na-Hepes, 100 mM Divalents