3CE4
Structure of Macrophage Migration Inhibitory Factor Covalently Inhibited by PMSF Treatment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-01-17 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.403, 67.505, 88.826 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.760 - 1.550 |
| R-factor | 0.195 |
| Rwork | 0.195 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ca7 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.069 | 0.316 |
| Number of reflections | 58940 | |
| <I/σ(I)> | 21 | |
| Completeness [%] | 99.1 | 93.2 |
| Redundancy | 4.7 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 293 | 50% saturated ammonium sulfate, 4% isopropanol, 0.1M tris(hydroxymethyl)aminomethane; mixed with protein:inhibitor complex in a 1:1 ratio, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
