5UMJ
Crystal structure of H62A 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 | 2016-12-30 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.993, 68.217, 86.411 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.160 - 1.610 |
R-factor | 0.1545 |
Rwork | 0.153 |
R-free | 0.17930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3djh |
RMSD bond length | 0.025 |
RMSD bond angle | 2.141 |
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 | 1.640 |
High resolution limit [Å] | 1.610 | 4.370 | 1.610 |
Rmerge | 0.054 | 0.054 | 0.112 |
Rmeas | 0.059 | 0.059 | 0.140 |
Rpim | 0.022 | 0.023 | 0.081 |
Total number of observations | 256156 | ||
Number of reflections | 52564 | 2530 | |
<I/σ(I)> | 24.1 | ||
Completeness [%] | 99.6 | 100 | 96.9 |
Redundancy | 4.9 | 6.4 | 2.5 |
CC(1/2) | 0.994 | 0.970 |
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 |