5UTL

Mutant Structures of Streptococcus Agalactiae GBS Glyceraldehyde-3-Phosphate Dehydrogenase (GAPDH)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	67.826, 108.412, 90.440
Unit cell angles	90.00, 106.15, 90.00

Refinement procedure

Resolution	86.870 - 1.920
R-factor	0.1992
Rwork	0.198
R-free	0.21950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jy6
RMSD bond length	0.007
RMSD bond angle	1.170
Data reduction software	XDS (Oct 15, 2015)
Data scaling software	SCALA (0.1.27)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	108.410	1.950
High resolution limit [Å]	1.920	1.920
Rmerge	0.098	0.768
Rmeas	0.116	1.066
Rpim	0.061	0.736
Number of reflections	92332	3191
<I/σ(I)>	11.9	1
Completeness [%]	95.8	66.6
Redundancy	3.4	1.7
CC(1/2)	0.992	0.444

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	20-28% PEG4000, 0.1M Mes