5BSI
Crystal structure of Y36A mutant of human macrophage migration inhibitory factor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-05-01 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.5418 |
Spacegroup name | H 3 |
Unit cell lengths | 177.771, 177.771, 217.783 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.450 - 2.000 |
R-factor | 0.208 |
Rwork | 0.208 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3djh |
RMSD bond length | 0.024 |
RMSD bond angle | 1.950 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.102 | 0.609 |
Number of reflections | 173102 | |
<I/σ(I)> | 6.1 | |
Completeness [%] | 99.6 | 98.3 |
Redundancy | 3.7 | 3.3 |
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 |