6BII

Crystal Structure of Pyrococcus yayanosii Glyoxylate Hydroxypyruvate Reductase in complex with NADP and malonate (re-refinement of 5AOW)

Replaces:  5AOW

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979637
Spacegroup name	P 62 2 2
Unit cell lengths	141.063, 141.063, 260.792
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.580 - 2.000
R-factor	0.1498
Rwork	0.148
R-free	0.17560
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5AOW
RMSD bond length	0.011
RMSD bond angle	1.521
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.970	2.110
High resolution limit [Å]	2.000	2.000
Rmerge		1.500
Rpim	0.062	0.683
Number of reflections	103194	14914
<I/σ(I)>	11.7	1.4
Completeness [%]	99.8	99.3
Redundancy	7.3	7.3
CC(1/2)	1.000	0.527

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.7 MALONATE (HAMPTON), PH 7.0. 1 ml of mother liquor was placed in the well of the crystallization plate and the drop was formed by mixing 1.5 ul of protein solution at 10 mg/ml and 1.5 ul of mother liquor