6BC5
Cryo X-ray structure of coenzyme A bound AAC-VIa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2017-05-14 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 61 |
Unit cell lengths | 78.068, 78.068, 83.278 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.034 - 2.200 |
R-factor | 0.1782 |
Rwork | 0.176 |
R-free | 0.21220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6bc6 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.583 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.260 |
High resolution limit [Å] | 2.200 | 5.040 | 2.200 |
Rmerge | 0.091 | 0.040 | 0.484 |
Total number of observations | 78425 | ||
Number of reflections | 14077 | 1261 | 877 |
<I/σ(I)> | 12.5 | ||
Completeness [%] | 95.1 | 98.8 | 72.2 |
Redundancy | 5.6 | 5.5 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 285 | 0.1 M sodium citrate, pH 5.6, 0.2 M ammonium acetate, 10% glycerol, 17-25% PEG4000 |