6BC3
Cryo X-ray structure of sisomicin 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 | 77.534, 77.534, 83.890 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.767 - 2.047 |
R-factor | 0.1902 |
Rwork | 0.189 |
R-free | 0.20690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6bc6 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.630 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((1.11_2567: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.120 |
High resolution limit [Å] | 2.047 | 4.420 | 2.050 |
Rmerge | 0.100 | 0.055 | 0.602 |
Number of reflections | 18004 | 1842 | 1767 |
<I/σ(I)> | 10.5 | ||
Completeness [%] | 99.3 | 99.2 | 98.2 |
Redundancy | 2.9 | 3 | 2.7 |
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 |