6BC2
Cryo X-ray structure of acetylsisomicin 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 | C 1 2 1 |
Unit cell lengths | 84.409, 86.866, 50.313 |
Unit cell angles | 90.00, 119.82, 90.00 |
Refinement procedure
Resolution | 29.425 - 2.195 |
R-factor | 0.283 |
Rwork | 0.282 |
R-free | 0.30760 |
Starting model (for MR) | 6bc6 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.940 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11_2567: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.280 |
High resolution limit [Å] | 2.195 | 4.730 | 2.200 |
Rmerge | 0.094 | 0.050 | 0.554 |
Number of reflections | 14753 | 1378 | 1572 |
<I/σ(I)> | 16 | ||
Completeness [%] | 91.8 | 83.9 | 97.3 |
Redundancy | 3 | 3 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 285 | 0.1 M Tris, pH 8.5, 0.3 M magnesium chloride, 15-20% PEG8000 |