1WWK

Crystal structure of phosphoglycerate dehydrogenase from Pyrococcus horikoshii OT3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-12-13
Detector	RIGAKU RAXIS V
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	222.417, 46.163, 66.258
Unit cell angles	90.00, 92.53, 90.00

Refinement procedure

Resolution	37.480 - 1.900
R-factor	0.224
Rwork	0.224
R-free	0.24600
Structure solution method	MIR
RMSD bond length	0.011
RMSD bond angle	1.600
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.059	0.442
Number of reflections	53427
<I/σ(I)>	11.8	3.9
Completeness [%]	100.0	100
Redundancy	4.1	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.7	295	PEG4000, NAD, pH 5.7, microbatch, temperature 295K
1	MICROBATCH	5.7	295	PEG4000, NAD, pH 5.7, microbatch, temperature 295K
1	MICROBATCH	5.7	295	PEG4000, NAD, pH 5.7, microbatch, temperature 295K