3ZL8
CRYSTAL STRUCTURE OF MURF LIGASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH 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 | PIXEL |
| Collection date | 2012-11-08 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.229, 49.595, 177.164 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.540 - 1.650 |
| R-factor | 0.16935 |
| Rwork | 0.164 |
| R-free | 0.21981 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.268 |
| 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] | 46.540 | 1.740 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.040 | 0.480 |
| Number of reflections | 50746 | |
| <I/σ(I)> | 30.9 | 3 |
| Completeness [%] | 96.0 | 91.7 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 0.1M SODIUM ACETATE PH 5.5, 45-49%(V/V) 2-METHYL-2,4-PENTANEDIOL |
