2P9C

Crystal structure of serine bound G336V mutant of E.coli phosphoglycerate dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-05-03
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.541
Spacegroup name	P 21 21 2
Unit cell lengths	142.142, 130.785, 50.188
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 2.460
R-factor	0.22204
Rwork	0.219
R-free	0.28059
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pa3
RMSD bond length	0.011
RMSD bond angle	1.394
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.590
High resolution limit [Å]	2.460	2.460
Rmerge	0.096	0.544
Number of reflections	31001
<I/σ(I)>	20.2	2.5
Completeness [%]	88.7	72.2
Redundancy	7.6	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	10% PEG3000, 0.1M cacodylate, 0.2M MgCl2, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K