3ZM5
CRYSTAL STRUCTURE OF MURF LIGASE IN COMPLEX WITH CYANOTHIOPHENE INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-06-29 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 119.177, 119.177, 160.680 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.420 - 2.940 |
| R-factor | 0.23283 |
| Rwork | 0.225 |
| R-free | 0.30303 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2am1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.353 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.420 | 3.110 |
| High resolution limit [Å] | 2.940 | 2.940 |
| Rmerge | 0.040 | 0.490 |
| Number of reflections | 13459 | |
| <I/σ(I)> | 46 | 9 |
| Completeness [%] | 89.8 | 85.3 |
| Redundancy | 6.5 | 9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | 0.1 M TRIS SODIUM CITRATE PH 5.6, 0.2 M K/NA-TARTRATE AND 2.2 M (NH4)2SO4 |
