1VMD

Crystal structure of Methylglyoxal synthase (TM1185) from Thermotoga maritima at 2.06 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-01-07
Detector	ADSC
Spacegroup name	I 2 3
Unit cell lengths	130.243, 130.243, 130.243
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.890 - 2.060
R-factor	0.16998
Rwork	0.167
R-free	0.21884
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b93
RMSD bond length	0.017
RMSD bond angle	1.570
Data reduction software	MOSFLM
Data scaling software	SCALA (4.2))
Phasing software	MOLREP
Refinement software	REFMAC ((5.2.0005))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.890	2.100
High resolution limit [Å]	2.050	2.050
Number of reflections	22616
<I/σ(I)>	9.2	0.8
Completeness [%]	98.4	87.4
Redundancy	5	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	5.5	277	15.0% Ethanol, 0.2M Li2SO4, 0.1M Citrate pH 5.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K