4AQL
HUMAN GUANINE DEAMINASE IN COMPLEX WITH VALACYCLOVIR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 86.729, 91.383, 131.913 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.960 - 1.990 |
| R-factor | 0.18222 |
| Rwork | 0.180 |
| R-free | 0.21375 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2uz9 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.454 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.100 | 0.760 |
| Number of reflections | 35909 | |
| <I/σ(I)> | 12.4 | 2.8 |
| Completeness [%] | 99.5 | 96.7 |
| Redundancy | 4.4 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 20% PEG 6000 100 MM HEPES PH 7.0 200 MM MGCL2 |
