2OCL
Crystal structure of valacyclovir hydrolase S122A mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 32-ID |
| Synchrotron site | APS |
| Beamline | 32-ID |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-07-29 |
| Detector | MAR scanner 180 mm plate |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 62 |
| Unit cell lengths | 88.790, 88.790, 86.010 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.390 - 1.900 |
| Rwork | 0.184 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data scaling software | d*TREK |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.390 | 44.390 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Rmerge | 0.083 | 0.054 | 0.316 |
| Total number of observations | 34538 | 31536 | |
| Number of reflections | 30366 | ||
| <I/σ(I)> | 15.2 | 32.8 | 6.2 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 10.81 | 10.83 | 10.44 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 16% PEG 4,000, 0.1 M MOPS, 0.1 M MNSO4, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
