Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-20 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.00000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 104.840, 72.373, 105.613 |
Unit cell angles | 90.00, 96.55, 90.00 |
Refinement procedure
Resolution | 48.920 - 2.300 |
R-factor | 0.2178 |
Rwork | 0.216 |
R-free | 0.24120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4XRV |
RMSD bond length | 0.006 |
RMSD bond angle | 0.888 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.920 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.062 | 0.450 |
Rpim | 0.032 | 0.268 |
Number of reflections | 34922 | 3427 |
<I/σ(I)> | 12.2 | 2.2 |
Completeness [%] | 99.5 | 90.3 |
Redundancy | 3.6 | 3.7 |
CC(1/2) | 0.998 | 0.903 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 7 | 293 | Sodium Formate 4.0-4.5 M, Bis-tris propane 0.1 M |