5A5E
CRYSTAL STRUCTURE OF MURD LIGASE FROM ESCHERICHIA COLI
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 | 2009-04-27 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.120, 70.433, 100.581 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.830 - 1.840 |
| R-factor | 0.19138 |
| Rwork | 0.189 |
| R-free | 0.23073 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uag |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.537 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.830 | 1.950 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.060 | 0.500 |
| Number of reflections | 34760 | |
| <I/σ(I)> | 22.74 | 3.01 |
| Completeness [%] | 95.1 | 96.3 |
| Redundancy | 4.2 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 288 | 3 MG/ML PROTEIN, 1.8 M (NH4)2SO4, 7% MPD, 0.1 M MES, PH 5.6, 15C |
