Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-08-10 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.455, 101.813, 72.921 |
Unit cell angles | 90.00, 98.47, 90.00 |
Refinement procedure
Resolution | 19.597 - 1.530 |
R-factor | 0.1728 |
Rwork | 0.171 |
R-free | 0.20840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dfb |
RMSD bond length | 0.010 |
RMSD bond angle | 1.090 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (dev_2733) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.600 | 1.560 |
High resolution limit [Å] | 1.530 | 1.530 |
Rmerge | 0.032 | 0.708 |
Number of reflections | 93863 | |
<I/σ(I)> | 15.4 | 1.3 |
Completeness [%] | 99.4 | 93.5 |
Redundancy | 3.9 | 3 |
CC(1/2) | 1.000 | 0.571 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.2 M NACL, 10 MM HEPES (PH 7.5), 25% (W/V) PEG3350 AND 10 MM PLAZOMICIN |