Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.350, 103.960, 161.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.989 - 2.282 |
Rwork | 0.227 |
R-free | 0.28470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4m3h |
RMSD bond length | 0.006 |
RMSD bond angle | 1.411 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.989 | 2.294 |
High resolution limit [Å] | 2.282 | 2.282 |
Number of reflections | 39762 | 11949 |
<I/σ(I)> | 5.6 | |
Completeness [%] | 98.8 | |
Redundancy | 1.9 | |
CC(1/2) | 0.988 | 0.484 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 50 mM HEPES pH 7.0, 1.4 M ammonium sulfate, 10 mM [Co(NH3)6]Cl3 |