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 |