5T73

Crystal structure of S.aureus glyceraldehyde-3-phosphate-dehydrogenase (Gap) containing oxidized Cys151

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	95.692, 111.456, 128.063
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.157 - 2.599
R-factor	0.2
Rwork	0.197
R-free	0.26040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lc7
RMSD bond length	0.011
RMSD bond angle	1.111
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.157	2.650
High resolution limit [Å]	2.599	2.599
Rmerge	0.246	1.230
Number of reflections	42806
<I/σ(I)>	8.68	1.61
Completeness [%]	99.8	99.4
Redundancy	7.4	7.4
CC(1/2)	0.989	0.560

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	30 % (w/v) PEG 3350, 0.1 M Tris, pH 8.5