6BC6
Cryo X-ray structure of apo 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 | 2016-05-14 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 89.010, 85.981, 51.134 |
Unit cell angles | 90.00, 119.98, 90.00 |
Refinement procedure
Resolution | 30.849 - 2.200 |
R-factor | 0.238 |
Rwork | 0.236 |
R-free | 0.26730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3sma |
RMSD bond length | 0.002 |
RMSD bond angle | 0.482 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
Rmerge | 0.084 | 0.057 | 0.504 |
Total number of observations | 37319 | ||
Number of reflections | 15393 | 1425 | 1597 |
<I/σ(I)> | 18.4 | ||
Completeness [%] | 90.5 | 82.1 | 94.7 |
Redundancy | 2.4 | 2.7 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 285 | 0.1 M Tris, pH 8.5, 15-20% PEG8000, 0.3 M magnesium chloride |