1YQZ

Structure of Coenzyme A-Disulfide Reductase from Staphylococcus aureus refined at 1.54 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-11
Detector	ADSC QUANTUM 4
Wavelength(s)	1.100
Spacegroup name	P 1 21 1
Unit cell lengths	76.060, 65.200, 94.490
Unit cell angles	90.00, 104.80, 90.00

Refinement procedure

Resolution	10.000 - 1.540
R-factor	0.18
Rwork	0.177
R-free	0.20600
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.600
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.590
High resolution limit [Å]	1.540	1.540
Rmerge	0.068	0.345
Number of reflections	256436
<I/σ(I)>	14.9	4.1
Completeness [%]	99.0	96.6
Redundancy	7.18	5.83

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	293	PEG 400, magnesium chloride, HEPES, NADP+, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	7.2	293	PEG 400, magnesium chloride, HEPES, NADP+, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K