7QB8
Crystal structure of a cyclodipeptide synthase from Parcubacteria bacterium RAAC4_OD1_1, WT form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-12 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 102.611, 102.611, 49.758 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.306 - 1.900 |
R-factor | 0.2248 |
Rwork | 0.224 |
R-free | 0.24160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7QAE |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 72.560 | 72.610 | 1.930 |
High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
Rmeas | 0.074 | 0.072 | 1.605 |
Rpim | 0.010 | 0.011 | 0.232 |
Total number of observations | 1128594 | 56348 | 48267 |
Number of reflections | 21533 | 1216 | 1058 |
<I/σ(I)> | 31.4 | 78.8 | 1.7 |
Completeness [%] | 100.0 | 100 | 99.9 |
Redundancy | 52.4 | 46.3 | 45.6 |
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 5.13 |