6L7J
Quinolone synthase (QNS) from Aegle marmelos Correa., complexed with Coenzyme A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2016-12-30 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 150.860, 150.860, 105.610 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.380 - 1.800 |
| R-factor | 0.176 |
| Rwork | 0.175 |
| R-free | 0.19930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wd7 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.973 |
| 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] | 35.230 | 1.920 |
| High resolution limit [Å] | 1.800 | 1.820 |
| Rmerge | 0.135 | 0.094 |
| Number of reflections | 47076 | 1605 |
| <I/σ(I)> | 0.14 | |
| Completeness [%] | 97.7 | 99.5 |
| Redundancy | 11.2 | 11.3 |
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, 0.1M BaCl2 (additive) |
