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 |