6CBF
Macrophage Migration Inhibitory Factor in Complex with a Pyrazole Inhibitor (6a)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-09-22 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.305, 68.310, 83.309 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.820 - 2.300 |
R-factor | 0.23737 |
Rwork | 0.232 |
R-free | 0.28192 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.344 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.820 | 2.360 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 17430 | |
<I/σ(I)> | 16.23 | |
Completeness [%] | 97.0 | |
Redundancy | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 2.4M ammonium sulfate, 3% isopropanol, 0.1M Tris pH 6.5 |