7CCT
Quinolone synthase from Aegle marmelos Correa complexed with N-Methylanthraniloyl-CoA
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) | 1.5418 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 148.839, 148.839, 105.340 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.760 - 2.350 |
| R-factor | 0.2338 |
| Rwork | 0.231 |
| R-free | 0.29200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wd7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.100 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.760 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmeas | 0.336 | 0.093 |
| Number of reflections | 18090 | 849 |
| <I/σ(I)> | 1.5 | |
| Completeness [%] | 96.2 | |
| Redundancy | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.5 | 298 | 0.1 HEPES (pH-7.5), 1.4 M sodium citrate tribasic dihydrate, 0.1M cadmium chloride hydrate After crystal obtained soaked 2mM N-Methylanthraniloyl-CoA dissolved in the same buffer for 30 minutes |
