6L5U
Quinolone synthase from Aegle marmelos Correa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2016-01-03 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54179 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 149.840, 149.840, 105.491 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.830 - 1.850 |
| R-factor | 0.1871 |
| Rwork | 0.185 |
| R-free | 0.22040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wd7 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.888 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.860 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.133 | 0.133 |
| Number of reflections | 38750 | 1421 |
| <I/σ(I)> | 1.5 | |
| Completeness [%] | 97.4 | 99.6 |
| Redundancy | 11 | 10.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.5 | 298 | 0.1M HEPES (pH-7.5), 1.4M sodium citrate tribasic dihydrate |
