7QAW
Crystal structure of a cyclodipeptide synthase from Parcubacteria bacterium RAAC4_OD1_1, Y189F mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-09-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9999 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 101.204, 101.204, 50.317 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.260 - 2.285 |
R-factor | 0.22 |
Rwork | 0.219 |
R-free | 0.24750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7QAE |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 71.562 | 71.562 | 2.324 |
High resolution limit [Å] | 2.285 | 6.201 | 2.285 |
Rmerge | 0.072 | 0.042 | 2.230 |
Rmeas | 0.075 | 0.044 | 2.313 |
Rpim | 0.019 | 0.012 | 0.604 |
Total number of observations | 187130 | 9195 | 8625 |
Number of reflections | 12259 | 706 | 595 |
<I/σ(I)> | 18.8 | 47.7 | 1.3 |
Completeness [%] | 99.3 | 100 | 100 |
Redundancy | 15.3 | 13 | 14.5 |
CC(1/2) | 1.000 | 0.999 | 0.511 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2.27 M Ammonium Sulfate 0.1 M Sodium Acetate pH 5.17 |