1WO8

Crystal structure of methylglyoxal synthase from Thermus thermophilus HB8

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	2004-07-07
Detector	RIGAKU RAXIS V
Wavelength(s)	1.0000
Spacegroup name	P 31 2 1
Unit cell lengths	130.612, 130.612, 96.653
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.100 - 1.700
R-factor	0.186
Rwork	0.185
R-free	0.20400
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.400
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	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.106	0.432
Number of reflections	104491
<I/σ(I)>	6.8	3.1
Completeness [%]	99.9	99.4
Redundancy	8.9	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.6	291	Lithium sulfate, pH 4.6, microbatch, temperature 291K
1	MICROBATCH	4.6	291	Lithium sulfate, pH 4.6, microbatch, temperature 291K