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 |