1VPM

Crystal structure of Acyl-CoA hydrolase (NP_241664.1) from Bacillus halodurans at 1.66 A resolution

Experimental procedure

Experimental method	MAD
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	2004-10-09
Detector	ADSC
Wavelength(s)	0.979764,1.019943,0.979648
Spacegroup name	I 21 21 21
Unit cell lengths	82.984, 106.507, 120.254
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.750 - 1.660
R-factor	0.17146
Rwork	0.170
R-free	0.19669
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.728
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.750	1.750
High resolution limit [Å]	1.660	1.660
Number of reflections	62701
<I/σ(I)>	13	2.8
Completeness [%]	99.5	98.5
Redundancy	5.9	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP		293	0.15M Na formate, 20.00% PEG 3350, 0.033M Cl2E9, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K
1	VAPOR DIFFUSION,SITTING DROP,NANODROP		293	0.15M Na formate, 20.00% PEG 3350, 0.033M Cl2E9, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K