6OZ1
Crystal structure of the adenylation (A) domain of the carboxylate reductase (CAR) GR01_22995 from Mycobacterium chelonae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2018-08-28 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.325, 90.580, 172.202 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.909 - 1.970 |
R-factor | 0.1835 |
Rwork | 0.182 |
R-free | 0.22410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5msd |
RMSD bond length | 0.010 |
RMSD bond angle | 1.058 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.15_3448: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.000 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmerge | 0.058 | 0.743 |
Rpim | 0.027 | 0.395 |
Number of reflections | 66954 | 2702 |
<I/σ(I)> | 30.26 | 1 |
Completeness [%] | 98.8 | 81.2 |
Redundancy | 5.8 | 4.2 |
CC(1/2) | 0.635 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 20 mg/mL protein, 2.5 mM adipic acid, 1 mM AMP-PNP and the reservoir solution 1.5 M lithium sulfate and 0.1 M Tris pH 8.5 |