2X7H
Crystal structure of the human MGC45594 gene product in complex with fenoprofen
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-17 |
Detector | ADSC CCD |
Spacegroup name | P 1 |
Unit cell lengths | 46.600, 52.050, 75.730 |
Unit cell angles | 94.28, 91.29, 102.18 |
Refinement procedure
Resolution | 75.460 - 1.600 |
R-factor | 0.16831 |
Rwork | 0.168 |
R-free | 0.19440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wek |
RMSD bond length | 0.011 |
RMSD bond angle | 1.458 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.520 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.090 | 0.460 |
Number of reflections | 84512 | |
<I/σ(I)> | 10.4 | 1.9 |
Completeness [%] | 92.4 | 90.5 |
Redundancy | 4 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.5M NA MALONATE PH7.0, 0.25W/V JEFFAMINE ED 2001_PH7.0, 8PH HEPES. |