3ZM6
CRYSTAL STRUCTURE OF MURF LIGASE IN COMPLEX WITH CYANOTHIOPHENE INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-05 |
| Detector | MARRESEARCH |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 116.156, 116.156, 160.294 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.990 - 1.840 |
| R-factor | 0.22735 |
| Rwork | 0.224 |
| R-free | 0.25524 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2am1 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.667 |
| 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] | 47.990 | 1.950 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.040 | 0.520 |
| Number of reflections | 52244 | |
| <I/σ(I)> | 37.6 | 3.5 |
| Completeness [%] | 93.3 | 83.1 |
| Redundancy | 5.5 | 5.4 |
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 |
