2BXG
Human serum albumin complexed with ibuprofen
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2002-10-28 |
Detector | ADSC CCD |
Spacegroup name | P 1 |
Unit cell lengths | 55.320, 55.440, 120.140 |
Unit cell angles | 81.19, 90.34, 65.93 |
Refinement procedure
Resolution | 22.340 - 2.700 |
R-factor | 0.234 |
Rwork | 0.234 |
R-free | 0.28100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e78 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.200 |
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] | 22.400 | 2.850 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.050 | 0.320 |
Number of reflections | 33880 | |
<I/σ(I)> | 11.2 | 2.8 |
Completeness [%] | 96.8 | 96.6 |
Redundancy | 2 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | pH 7.00 |