4Z1T
MIF in complex with 4-[(4-oxo-2-thioxo-1,3-thiazolan-3-yl)methyl]benzonitrile
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 | 2007-10-31 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0809 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.120, 68.620, 88.240 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.110 - 1.500 |
| R-factor | 0.19487 |
| Rwork | 0.193 |
| R-free | 0.22499 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mif |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.552 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 54.170 |
| High resolution limit [Å] | 1.500 |
| Number of reflections | 66892 |
| <I/σ(I)> | 5 |
| Completeness [%] | 98.9 |
| Redundancy | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | Tris, ammonium sulfate, isopropanol |
