5UZY
Crystal structure of N97A 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 | 68.134, 68.269, 86.392 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.230 - 1.710 |
R-factor | 0.1567 |
Rwork | 0.156 |
R-free | 0.17850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3djh |
RMSD bond length | 0.026 |
RMSD bond angle | 2.023 |
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 | 1.740 |
High resolution limit [Å] | 1.710 | 4.640 | 1.710 |
Rmerge | 0.066 | 0.056 | 0.199 |
Rmeas | 0.072 | 0.060 | 0.240 |
Rpim | 0.028 | 0.021 | 0.132 |
Total number of observations | 209624 | ||
Number of reflections | 44201 | 2162 | |
<I/σ(I)> | 8.1 | ||
Completeness [%] | 99.7 | 100 | 99.4 |
Redundancy | 4.7 | 7.8 | 3 |
CC(1/2) | 0.994 | 0.946 |
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 |