4PKZ
Crystal structure of P1M mutant of Macrophage Migration Inhibitory Factor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2014-03-17 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 95.959, 95.959, 104.115 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.980 - 1.900 |
R-factor | 0.2263 |
Rwork | 0.225 |
R-free | 0.25120 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.021 |
RMSD bond angle | 1.826 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
Rmerge | 0.071 | 0.060 | 0.234 |
Total number of observations | 225964 | ||
Number of reflections | 43923 | ||
<I/σ(I)> | 20.1 | ||
Completeness [%] | 99.3 | 97.4 | 99.5 |
Redundancy | 5.1 | 5 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 2 M ammonium Sulphate, 3% 2-propanol, 20 mM Tris.HCl, pH 7.5 |