4K9G
1.55 A Crystal Structure of Macrophage Migration Inhibitory Factor bound to ISO-66 and a related compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-17 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 95.458, 95.458, 104.552 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 82.760 - 1.550 |
| R-factor | 0.199 |
| Rwork | 0.199 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ooh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.273 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 110.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.058 | 0.534 |
| Number of reflections | 79934 | |
| <I/σ(I)> | 23 | 2.25 |
| Completeness [%] | 99.6 | 99.2 |
| Redundancy | 5.8 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 293 | 1.1 mM (14 mg/ml) MIF , 10 mM inhibitor in 10% DMSO, 18 mM NaCl, 18 mM tris(hydroxymethyl)aminomethane mixed 1:1 with reservoir containing 2 M ammonium sulfate, 0.1 M tris(hydroxymethyl)aminomethane, 3% isopropanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
