2OCI
Crystal structure of valacyclovir hydrolase complexed with a product analogue
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-03-24 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9792 |
Spacegroup name | P 62 |
Unit cell lengths | 88.600, 88.600, 86.710 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.360 - 1.900 |
Rwork | 0.196 |
R-free | 0.21700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ocg |
Data scaling software | d*TREK |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.360 | 38.360 | 1.970 |
High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
Rmerge | 0.125 | 0.087 | 0.417 |
Total number of observations | 31425 | 33502 | |
Number of reflections | 30385 | ||
<I/σ(I)> | 11.4 | 31.5 | 2.9 |
Completeness [%] | 99.6 | 96.2 | 100 |
Redundancy | 10.93 | 10.04 | 10.89 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 15-16% PEG 4,000, 0.1 M MOPS, 0.1 M MNSO4, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |