2GO7

CRYSTAL STRUCTURE OF A HYDROLASE FROM HALOACID DEHALOGENASE-LIKE FAMILY (SP_2064) FROM STREPTOCOCCUS PNEUMONIAE TIGR4 AT 2.10 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-12-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979224, 0.918370, 0.978940
Spacegroup name	P 61
Unit cell lengths	155.000, 155.000, 88.440
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.290 - 2.100
R-factor	0.173
Rwork	0.171
R-free	0.20900
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.439
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.480		2.170
High resolution limit [Å]	2.100	3.590	2.100
Rmerge	0.085	0.053	0.521
Number of reflections	70459	13699	10654
<I/σ(I)>	6.83	13.4	1.55
Completeness [%]	99.3	99.2	96.2
Redundancy	3.76

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	5.5	277	0.2M MgCl2, 40.0% PEG-400, 0.1M Citrate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K