Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2017-11-10 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 77.906, 77.906, 425.737 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.500 - 2.165 |
R-factor | 0.1908 |
Rwork | 0.190 |
R-free | 0.21440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bf2 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.819 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.280 |
High resolution limit [Å] | 2.160 | 2.160 |
Rmerge | 0.150 | |
Number of reflections | 42487 | 6014 |
<I/σ(I)> | 12.9 | |
Completeness [%] | 99.0 | |
Redundancy | 15.8 | |
CC(1/2) | 0.990 | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 0.1M BisTRIS pH 5.5, 0.2M ammonium acetate, 3% sorbitol and 12% PEG3350 |