Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 277 |
Detector technology | CCD |
Collection date | 2018-04-15 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97857 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.920, 96.930, 105.780 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.450 - 2.060 |
R-factor | 0.2006 |
Rwork | 0.199 |
R-free | 0.23520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3iag |
RMSD bond length | 0.008 |
RMSD bond angle | 0.965 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.459 | 2.101 |
High resolution limit [Å] | 2.056 | 2.056 |
Rmerge | 0.105 | |
Number of reflections | 43743 | 2546 |
<I/σ(I)> | 8 | |
Completeness [%] | 99.1 | |
Redundancy | 5.6 | |
CC(1/2) | 0.980 | 0.680 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 277 | MES monohydrate PIPES hexamminecobalt(III) chloride HEPES PEG 3350 |