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) |