7C5R

Crystal Structure of C150S mutant Glyceraldehyde-3-phosphate dehydrogenase1 from Escherichia coli complexed with BPG at 2.31 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-09-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97776
Spacegroup name	P 41 21 2
Unit cell lengths	89.398, 89.398, 340.821
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.310
R-factor	0.14942
Rwork	0.147
R-free	0.20332
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c5f
RMSD bond length	0.018
RMSD bond angle	1.826
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MLPHARE
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.010	2.350
High resolution limit [Å]	2.310	2.310
Rmerge	0.166	0.535
Number of reflections	61720	5862
<I/σ(I)>	13.5	3.33
Completeness [%]	100.0	100
Redundancy	11.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	293	100mM sodium PBS pH 6.2, 16%(w/v) PEG 1000, 200mM MgCl2