2FTR

Crystal structure of an ethyl tert-butyl ether d (ethd) family protein (bh0200) from bacillus halodurans c-125 at 1.40 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-11
Detector	ADSC QUANTUM 210
Spacegroup name	P 1 21 1
Unit cell lengths	48.530, 45.454, 51.423
Unit cell angles	90.00, 99.93, 90.00

Refinement procedure

Resolution	17.610 - 1.400
R-factor	0.14921
Rwork	0.148
R-free	0.17400
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.329
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELXD
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	17.610	17.610	1.440
High resolution limit [Å]	1.400	6.260	1.400
Rmerge	0.069	0.063	0.246
Number of reflections	36413
<I/σ(I)>	6.3	10.2	3.1
Completeness [%]	83.9
Redundancy	3.4	3.7	1.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	6	277	10.0% Glycerol, 5.0% PEG-1000, 30.0% PEG-600, 0.1M MES pH 6.0, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K