7QAQ
Crystal structure of a cyclodipeptide synthase from Parcubacteria bacterium RAAC4_OD1_1, E174A 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 | 102.600, 102.600, 49.860 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.884 - 2.400 |
R-factor | 0.1953 |
Rwork | 0.193 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7QAE |
Data reduction software | autoPROC |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 51.300 | 51.300 | 2.460 |
High resolution limit [Å] | 2.400 | 10.730 | 2.400 |
Rmerge | 0.152 | 0.048 | 0.711 |
Rmeas | 0.156 | 0.050 | 0.727 |
Rpim | 0.032 | 0.012 | 0.147 |
Total number of observations | 260322 | 2688 | 18514 |
Number of reflections | 10919 | 164 | 784 |
<I/σ(I)> | 26.1 | 46.3 | 6.9 |
Completeness [%] | 100.0 | 99.6 | 99.9 |
Redundancy | 23.8 | 16.4 | 23.6 |
CC(1/2) | 0.999 | 1.000 | 0.959 |
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 |