2OCG

Crystal structure of human valacyclovir hydrolase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 32-ID
Synchrotron site	APS
Beamline	32-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2004-07-12
Detector	MAR CCD 165 mm
Wavelength(s)	1.0029, 0.9791, 0.9793, 0.9565
Spacegroup name	P 62
Unit cell lengths	88.970, 88.970, 86.340
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.490 - 1.750
Rwork	0.182
R-free	0.20100
Structure solution method	MAD
Data scaling software	d*TREK
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.490	44.490	1.810
High resolution limit [Å]	1.750	3.770	1.750
Rmerge	0.065	0.043	0.331
Total number of observations		45255	42603
Number of reflections	39135
<I/σ(I)>	18.7	41	6.5
Completeness [%]	100.0	100	100
Redundancy	11.29	11.02	10.93

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	15% PEG 4,000, 0.1 M MOPS, 0.1 M MnSO4, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K