Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9999 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 91.613, 63.570, 80.095 |
Unit cell angles | 90.00, 118.39, 90.00 |
Refinement procedure
Resolution | 45.530 - 1.700 |
R-factor | 0.171 |
Rwork | 0.170 |
R-free | 0.19930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1z57 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.736 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.530 | 45.530 | 1.730 |
High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
Rmerge | 0.065 | 0.034 | 0.450 |
Rmeas | 0.075 | 0.039 | 0.528 |
Rpim | 0.037 | 0.020 | 0.271 |
Total number of observations | 172609 | 1238 | 7870 |
Number of reflections | 44218 | 327 | 2200 |
<I/σ(I)> | 11.1 | 27 | 2.4 |
Completeness [%] | 99.2 | 99 | 93.8 |
Redundancy | 3.9 | 3.8 | 3.6 |
CC(1/2) | 0.997 | 0.998 | 0.839 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 277 | 14% PEG 6k, 0.1M bicine |