5A5F
CRYSTAL STRUCTURE OF MURD LIGASE FROM ESCHERICHIA COLI IN COMPLEX WITH UMA AND ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-30 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.440, 89.840, 108.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.470 - 1.900 |
| R-factor | 0.19982 |
| Rwork | 0.198 |
| R-free | 0.23227 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uag |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.492 |
| 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] | 46.460 | 2.010 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.060 | 0.620 |
| Number of reflections | 51890 | |
| <I/σ(I)> | 23.75 | 3.22 |
| Completeness [%] | 98.2 | 94.8 |
| Redundancy | 5.4 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | 4 MG/ML PROTEIN, 1 MM UMA, 5 MM AMP-PNP, 1 MM NAN3, 1 MM DTT, 20 MM HEPES, PH 7.4, 1.8 M NA-MALONATE |
