2JFH
Crystal structure of MurD ligase in complex with L-Glu containing sulfonamide inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 288 |
| Detector technology | CCD |
| Collection date | 2006-09-23 |
| Detector | ADSC CCD |
| Spacegroup name | P 41 |
| Unit cell lengths | 65.593, 65.593, 135.485 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.140 - 1.970 |
| R-factor | 0.216 |
| Rwork | 0.214 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uag |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.596 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.050 | 0.270 |
| Number of reflections | 45353 | |
| <I/σ(I)> | 22 | 6 |
| Completeness [%] | 94.6 | 87.2 |
| Redundancy | 3.7 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | PROTEIN WAS CRYSTALLIZED FROM 1.7 M (NH4)2SO4, 7% PEG 400, 100 MM HEPES, PH 7.5; THEN SOAKED IN 10 MM OF INHIBITOR SOLUTION. |
