3DZV

Crystal structure of 4-methyl-5-(beta-hydroxyethyl)thiazole kinase (NP_816404.1) from ENTEROCOCCUS FAECALIS V583 at 2.57 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-26
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97954,0.97968
Spacegroup name	I 21 3
Unit cell lengths	181.705, 181.705, 181.705
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.476 - 2.570
R-factor	0.177
Rwork	0.175
R-free	0.20400
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.487
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.476	29.480	2.640
High resolution limit [Å]	2.570	11.490	2.570
Rmerge	0.168	0.050	0.976
Total number of observations		1872	13110
Number of reflections	31815
<I/σ(I)>	10	30.9	1.6
Completeness [%]	99.9	94.4	100
Redundancy	5.6	5.1	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	1.6M ammonium sulfate, 0.1M citric acid pH 5.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K