4Z1U
MIF in complex with 1-(4-methylphenyl)-3-phenylprop-2-yn-1-one
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 | 94.970, 105.960, 106.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.660 - 2.050 |
| R-factor | 0.16928 |
| Rwork | 0.167 |
| R-free | 0.20534 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mif |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.261 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 75.200 |
| High resolution limit [Å] | 2.050 |
| Number of reflections | 68188 |
| <I/σ(I)> | 6 |
| Completeness [%] | 99.9 |
| Redundancy | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | Tris, ammonium sulfate, isopropanol |
