6L61
Quinolone synthase from Aegle marmelos Correa, Dimer
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 | 2016-03-07 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 |
| Unit cell lengths | 55.420, 58.560, 59.410 |
| Unit cell angles | 115.86, 91.52, 96.64 |
Refinement procedure
| Resolution | 24.964 - 1.400 |
| R-factor | 0.1867 |
| Rwork | 0.185 |
| R-free | 0.20990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wd7 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.850 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.125 | 0.045 |
| Number of reflections | 129507 | 4255 |
| <I/σ(I)> | 1.8 | |
| Completeness [%] | 94.9 | 98.2 |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.5 | 298 | 0.1M HEPES (pH-7.5), 0.2M NaCl, 20% PEG 3350 |
