6OCI
Crystal Structure of Equine Serum Albumin in Complex with Ibuprofen
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X12 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-08-25 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0393 |
Spacegroup name | P 61 |
Unit cell lengths | 93.580, 93.580, 141.850 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.540 |
R-factor | 0.17345 |
Rwork | 0.170 |
R-free | 0.24569 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4zbq |
RMSD bond length | 0.020 |
RMSD bond angle | 2.171 |
Data reduction software | XDS (VERSION Jan 26, 2018) |
Data scaling software | XSCALE (VERSION Jan 26, 2018) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.640 |
High resolution limit [Å] | 2.540 | 2.540 |
Rmerge | 0.117 | 1.181 |
Number of reflections | 23211 | 2521 |
<I/σ(I)> | 14.4 | 2.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 293 | 75% Tacsimate at pH 6.0 |