4BUB
CRYSTAL STRUCTURE OF MURE LIGASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-17 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 61 |
| Unit cell lengths | 74.387, 74.387, 441.759 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.480 - 2.900 |
| R-factor | 0.22419 |
| Rwork | 0.218 |
| R-free | 0.28138 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.209 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | autoSHARP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.070 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.060 | 0.100 |
| Number of reflections | 29228 | |
| <I/σ(I)> | 40 | 3 |
| Completeness [%] | 95.9 | 81 |
| Redundancy | 11 | 12.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 0.1M CITIRC ACID PH5, 3% PEGMME 5000 |
