3KAN
D-dopachrome tautomerase (D-DT)/macrophage migration inhibitory factor 2 (MIF2) complexed with inhibitor 4-IPP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-09-23 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 3 |
Unit cell lengths | 83.286, 83.286, 40.303 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.060 - 1.130 |
R-factor | 0.11208 |
Rwork | 0.112 |
R-free | 0.12927 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dpt |
RMSD bond length | 0.010 |
RMSD bond angle | 1.489 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.170 |
High resolution limit [Å] | 1.130 | 1.130 |
Rmerge | 0.125 | 0.269 |
Number of reflections | 116400 | |
<I/σ(I)> | 20.97 | 4.31 |
Completeness [%] | 99.9 | 94.2 |
Redundancy | 5.1 | 9.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293.15 | 0.2 M Sodium chloride, 0.1 M Tris pH 8.5, 25% w/v Polyethylene glycol 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K |