5B4O
Crystal structure of Macrophage Migration Inhibitory Factor in complex with BTZO-14
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-08-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 95.194, 95.194, 103.296 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.770 - 1.370 |
R-factor | 0.184 |
Rwork | 0.183 |
R-free | 0.19800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ooh |
RMSD bond length | 0.011 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNX |
Refinement software | CNX (2005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.400 |
High resolution limit [Å] | 1.370 | 1.370 |
Rmerge | 0.044 | |
Number of reflections | 113585 | |
<I/σ(I)> | 37.67 | |
Completeness [%] | 99.8 | |
Redundancy | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293 | 2.4M ammonium sulfate, 0.1M bicine pH 9.0 , 2.4 mM BTZO-14 |