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 | 2019-02-01 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.991, 74.138, 75.793 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.000 - 1.900 |
R-factor | 0.2149 |
Rwork | 0.213 |
R-free | 0.25110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5lar |
RMSD bond length | 0.009 |
RMSD bond angle | 1.364 |
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] | 41.070 | 41.070 | 1.940 |
High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
Rmerge | 0.087 | 0.051 | 1.253 |
Rmeas | 0.094 | 0.056 | 1.349 |
Rpim | 0.034 | 0.021 | 0.494 |
Total number of observations | 2116 | 13403 | |
Number of reflections | 29401 | 326 | 1847 |
<I/σ(I)> | 9.1 | 23.7 | 1 |
Completeness [%] | 99.6 | 99.3 | 99.3 |
Redundancy | 7.5 | 6.5 | 7.3 |
CC(1/2) | 0.998 | 0.997 | 0.674 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 278 | 15% MMW PegSmear 0.1 M MES |