4GRN
crystal structure of PAAM mutant of human MIF
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-12-10 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.1 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 95.517, 95.517, 103.907 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.358 - 1.250 |
R-factor | 0.1282 |
Rwork | 0.128 |
R-free | 0.14110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | human MIF 1mif |
RMSD bond length | 0.009 |
RMSD bond angle | 1.283 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.290 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.068 | 0.583 |
Number of reflections | 150552 | |
<I/σ(I)> | 35.71 | 3.15 |
Completeness [%] | 99.4 | 94.3 |
Redundancy | 17.1 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 2M NH42SO4, pH6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |