7AZU
Crystal structure of a cyclodipeptide synthase from Bacillus thermoamylovorans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-15 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 79.780, 79.780, 92.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.208 - 1.801 |
R-factor | 0.2052 |
Rwork | 0.204 |
R-free | 0.22590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ztu |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 60.500 | 60.540 | 1.830 |
High resolution limit [Å] | 1.800 | 4.890 | 1.800 |
Rmerge | 0.059 | 0.031 | 2.139 |
Rmeas | 0.061 | 0.031 | 2.185 |
Rpim | 0.012 | 0.006 | 0.440 |
Number of reflections | 28430 | 1590 | 1360 |
<I/σ(I)> | 26.4 | 78.2 | 1.4 |
Completeness [%] | 100.0 | 100 | 97.8 |
Redundancy | 26.4 | 24.2 | 23.9 |
CC(1/2) | 1.000 | 0.999 | 0.833 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Na Citrate pH 5.5, 37% PEG 550 MME, 5% 1,2-hexanediol |