1VR0

Crystal structure of putative 2-phosphosulfolactate phosphatase (15026306) from Clostridium acetobutylicum at 2.6 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	2004-09-19
Detector	ADSC
Wavelength(s)	1.020035,0.979834
Spacegroup name	C 2 2 21
Unit cell lengths	46.686, 69.193, 453.518
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.700 - 2.490
R-factor	0.19201
Rwork	0.190
R-free	0.22938
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.509
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.530
High resolution limit [Å]	2.490	2.490
Number of reflections	22838
<I/σ(I)>	24.38	3.19
Completeness [%]	85.4	29.22
Redundancy	4.5	1.34

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	7.5	277	20.0% PEG-8000, 0.1M HEPES pH 7.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	7.5	277	20.0% PEG-8000, 0.1M HEPES pH 7.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K