8DI7
CMY-2
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] | 80 |
Detector technology | PIXEL |
Collection date | 2020-12-18 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1 |
Spacegroup name | P 1 |
Unit cell lengths | 55.939, 75.374, 97.552 |
Unit cell angles | 81.19, 87.84, 69.51 |
Refinement procedure
Resolution | 61.040 - 1.890 |
R-factor | 0.2004 |
Rwork | 0.200 |
R-free | 0.23910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zc2 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.040 | 1.958 |
High resolution limit [Å] | 1.890 | 1.890 |
Rmerge | 0.267 | |
Rmeas | 0.337 | |
Rpim | 0.202 | |
Number of reflections | 113721 | 11281 |
<I/σ(I)> | 1 | |
Completeness [%] | 96.3 | 94.56 |
Redundancy | 20 | |
CC(1/2) | 1.000 | 0.960 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293 | 300 mM Ammonium sulfate, 20% PEG 4000 |