5CTY

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	2010-10-06
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	142.551, 55.463, 51.131
Unit cell angles	90.00, 100.48, 90.00

Refinement procedure

Resolution	26.570 - 1.600
R-factor	0.1725
Rwork	0.171
R-free	0.20090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kzn
RMSD bond length	0.020
RMSD bond angle	2.121
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]	26.570	27.380	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.047	0.029	0.344
Total number of observations	137119	16208	7920
Number of reflections	50457
<I/σ(I)>	11.2	28.1	2
Completeness [%]	97.2	99	81.1
Redundancy	2.7	3.06	1.9

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