5V70
Crystal structure of N102A mutant of human macrophage migration inhibitory factor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-01-17 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.975, 68.078, 86.332 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.100 - 1.940 |
R-factor | 0.158 |
Rwork | 0.156 |
R-free | 0.19800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3djh |
RMSD bond length | 0.017 |
RMSD bond angle | 1.860 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
High resolution limit [Å] | 1.940 | 5.260 | 1.940 |
Rmerge | 0.121 | 0.059 | 0.264 |
Rmeas | 0.063 | 0.305 | |
Rpim | 0.022 | 0.151 | |
Number of reflections | 30324 | 1475 | |
<I/σ(I)> | 4.6 | ||
Completeness [%] | 99.8 | 100 | 99.7 |
Redundancy | 5.8 | 7.6 | 3.7 |
CC(1/2) | 0.990 | 0.934 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 2 M ammonium sulfate, 3 % 2-propanol, 0.1 M Tris-HCl, pH 7.5 |