5HVT
Crystal Structure of Macrophage Migration Inhibitory Factor (MIF) with a Potent Inhibitor (NVS-2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-03-04 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 96.023, 96.023, 104.039 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 83.160 - 1.750 |
R-factor | 0.1798 |
Rwork | 0.177 |
R-free | 0.20270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ooh |
RMSD bond length | 0.011 |
RMSD bond angle | 1.407 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 83.160 | 83.160 | 1.780 |
High resolution limit [Å] | 1.750 | 4.750 | 1.750 |
Rmerge | 0.086 | 0.037 | 0.795 |
Rmeas | 0.092 | 0.039 | 0.919 |
Rpim | 0.032 | 0.012 | 0.457 |
Total number of observations | 396624 | ||
Number of reflections | 56173 | ||
<I/σ(I)> | 15.3 | ||
Completeness [%] | 100.0 | 99.4 | 99.9 |
Redundancy | 7.1 | 10.1 | 4 |
CC(1/2) | 0.999 | 0.646 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293.15 | 2.0 M Ammonium Sulfate, 3% isopropanol and 0.1 M Tris pH 7.0 |