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) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.173, 74.740, 77.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.120 - 1.900 |
R-factor | 0.1957 |
Rwork | 0.194 |
R-free | 0.22540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5lar |
RMSD bond length | 0.013 |
RMSD bond angle | 1.459 |
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] | 49.120 | 49.120 | 1.940 |
High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
Rmerge | 0.068 | 0.038 | 1.701 |
Rmeas | 0.073 | 0.041 | 1.817 |
Rpim | 0.026 | 0.016 | 0.634 |
Total number of observations | 2200 | 15012 | |
Number of reflections | 30122 | 334 | 1912 |
<I/σ(I)> | 14.3 | 37.2 | 2 |
Completeness [%] | 99.2 | 99.2 | 99 |
Redundancy | 7.6 | 6.6 | 7.9 |
CC(1/2) | 0.999 | 0.998 | 0.725 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 278 | 15% MMW PegSmear 0.1 M MES |