3HOF
Structure of macrophage migration inhibitory factor (MIF) with caffeic acid at 1.9A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9702 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.669, 67.988, 89.135 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.270 - 1.900 |
| R-factor | 0.17422 |
| Rwork | 0.173 |
| R-free | 0.19958 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ca7 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.408 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.300 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.109 | 0.254 |
| Number of reflections | 32859 | |
| <I/σ(I)> | 8.4 | 4.1 |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 4.43 | 4.53 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 296 | 30-42.5% MPD_P1K_P3350 mix (MDL Morpheus screen), 0.1M buffer 1 mix (MDL morpheus screen), pH 5.5-7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
