Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-23 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.92 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 26.329, 53.705, 34.233 |
Unit cell angles | 90.00, 102.04, 90.00 |
Refinement procedure
Resolution | 28.410 - 1.400 |
R-factor | 0.15053 |
Rwork | 0.147 |
R-free | 0.21915 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.806 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.410 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.080 | 0.336 |
Rpim | 0.052 | 0.224 |
Number of reflections | 9187 | 452 |
<I/σ(I)> | 8.1 | |
Completeness [%] | 99.5 | |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 295 | 15% MPD, 120 mM barium chloride, 30 mM sodium cacodylate, equilibrated against 20% MPD |