7QAT
Crystal structure of a cyclodipeptide synthase from Parcubacteria bacterium RAAC4_OD1_1, E174L
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 | 103.632, 103.632, 49.676 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.346 - 2.402 |
R-factor | 0.2163 |
Rwork | 0.214 |
R-free | 0.26010 |
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] | 73.391 | 73.391 | 2.148 |
High resolution limit [Å] | 2.080 | 6.232 | 2.080 |
Rmerge | 0.049 | 0.036 | 2.039 |
Rmeas | 0.050 | 0.037 | 2.109 |
Rpim | 0.010 | 0.008 | 0.520 |
Total number of observations | 323801 | 14311 | 11158 |
Number of reflections | 14330 | 718 | 713 |
<I/σ(I)> | 28.9 | 71.4 | 1.3 |
Completeness [%] | 86.7 | 99.7 | 62.8 |
Redundancy | 22.6 | 19.9 | 15.6 |
CC(1/2) | 0.999 | 0.999 | 0.434 |
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 |