Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-30 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97622 |
Spacegroup name | I 4 |
Unit cell lengths | 127.675, 127.675, 152.093 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.590 - 1.900 |
R-factor | 0.1761 |
Rwork | 0.175 |
R-free | 0.19860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bkd |
RMSD bond length | 0.018 |
RMSD bond angle | 1.385 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.590 | 2.010 |
High resolution limit [Å] | 1.895 | 1.900 |
Number of reflections | 189905 | 30042 |
<I/σ(I)> | 15.63 | |
Completeness [%] | 99.6 | |
Redundancy | 6.9 | |
CC(1/2) | 0.990 | 0.720 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 14% PEG 1000, Tris 0.1 M pH 7.0 |