2XW6

The Crystal Structure of Methylglyoxal Synthase from Thermus sp. GH5 Bound to Phosphate Ion.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-25
Detector	ADSC CCD
Spacegroup name	C 2 2 21
Unit cell lengths	54.636, 115.172, 120.431
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.200 - 1.080
R-factor	0.129
R-free	0.16100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wo8
RMSD bond length	0.015
RMSD bond angle	0.034
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.200	1.120
High resolution limit [Å]	1.080	1.080
Rmerge	0.050	0.540
Number of reflections	156269
<I/σ(I)>	12	1.8
Completeness [%]	96.6	81.1
Redundancy	3.6	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8	277	CRYSTALS WERE OBTAINED USING MICROBATCH METHOD AT 4C. CRYSTALLIZATION DROPS WERE MADE BY MIXING 2 MICROLITER OF A 7.8 MG/ML PROTEIN SOLUTION IN 50 MM TRIS-HCL, 300 MM NACL, 160 MM IMIDAZOLE AND 20% GLYCEROL WITH EQUAL AMOUNT OF CRYSTALLIZATION SOLUTION CONTAINING 0.1 M TRIS-HCL (PH 8.0), 29% W/V POLYETHYLENE GLYCOL (PEG) 4000.