5UTM

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-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	67.991, 108.258, 90.649
Unit cell angles	90.00, 106.05, 90.00

Refinement procedure

Resolution	87.120 - 1.770
R-factor	0.1974
Rwork	0.196
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jy6
RMSD bond length	0.007
RMSD bond angle	1.173
Data reduction software	XDS (Jun 17, 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]	108.260	1.800
High resolution limit [Å]	1.770	1.770
Rmerge	0.115
Rmeas	0.134
Rpim	0.068	0.848
Number of reflections	122468
<I/σ(I)>	10.6
Completeness [%]	99.9	99.9
Redundancy	3.8	3.8
CC(1/2)	0.993	0.548

Crystallization Conditions

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