2BXD
Human serum albumin complexed with warfarin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7A |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2003-09-30 |
Detector | ADSC CCD |
Spacegroup name | P 1 |
Unit cell lengths | 55.022, 55.358, 119.591 |
Unit cell angles | 81.14, 90.53, 64.79 |
Refinement procedure
Resolution | 49.320 - 3.050 |
R-factor | 0.213 |
Rwork | 0.213 |
R-free | 0.25900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e78 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.300 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.300 | 3.210 |
High resolution limit [Å] | 3.050 | 3.050 |
Rmerge | 0.060 | 0.370 |
Number of reflections | 23406 | |
<I/σ(I)> | 8.9 | 2.3 |
Completeness [%] | 97.7 | 97 |
Redundancy | 1.9 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | pH 7.00 |