3NO6

Crystal structure of a putative thiaminase II (SE1693) from Staphylococcus epidermidis ATCC 12228 at 1.65 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	2010-03-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	70.155, 92.713, 165.037
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.867 - 1.650
R-factor	0.167
Rwork	0.166
R-free	0.19000
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.605
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall
Low resolution limit [Å]	29.867
High resolution limit [Å]	1.650
Number of reflections	129347
Completeness [%]	99.7
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	24.8000% 2-methyl-2,4-pentanediol, 0.2000M ammonium acetate, 0.1M sodium citrate - citric acid pH 5.6, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	24.8000% 2-methyl-2,4-pentanediol, 0.2000M ammonium acetate, 0.1M sodium citrate - citric acid pH 5.6, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K