7QAY
Crystal structure of a cyclodipeptide synthase from Parcubacteria bacterium RAAC4_OD1_1, Y55F 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 | 101.260, 101.260, 50.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.285 - 2.093 |
R-factor | 0.211 |
Rwork | 0.208 |
R-free | 0.26690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7QAE |
Data reduction software | xia2 |
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] | 71.602 | 71.602 | 2.129 |
High resolution limit [Å] | 2.093 | 5.681 | 2.093 |
Rmerge | 0.068 | 0.045 | 1.550 |
Rmeas | 0.071 | 0.047 | 1.659 |
Rpim | 0.019 | 0.014 | 0.586 |
Total number of observations | 192351 | 10435 | 6030 |
Number of reflections | 14934 | 896 | 768 |
<I/σ(I)> | 17.7 | 41.7 | 1.4 |
Completeness [%] | 94.1 | 99.9 | 100 |
Redundancy | 12.9 | 11.6 | 7.9 |
CC(1/2) | 1.000 | 1.000 | 0.490 |
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 |