7Q6A
Crystal structure of Chaetomium thermophilum C30S Ahp1 in post-reaction state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-01-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 |
Unit cell lengths | 35.842, 41.101, 60.820 |
Unit cell angles | 77.09, 75.12, 67.27 |
Refinement procedure
Resolution | 32.460 - 1.100 |
R-factor | 0.162 |
Rwork | 0.161 |
R-free | 0.17390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dsr |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2-3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 32.460 | 32.460 | 1.120 |
High resolution limit [Å] | 1.100 | 4.900 | 1.100 |
Rmerge | 0.058 | 0.025 | 1.382 |
Rmeas | 0.068 | 0.029 | 1.608 |
Total number of observations | 416316 | ||
Number of reflections | 112459 | 1398 | 7438 |
<I/σ(I)> | 10.94 | 45.78 | 0.97 |
Completeness [%] | 89.3 | 98.4 | 79.6 |
Redundancy | 3.702 | 3.91 | 3.641 |
CC(1/2) | 0.999 | 0.999 | 0.464 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 294 | 2 M Ammonium Sulfate and 0.1 M Sodium cacodylate -pH 6.5 |