6ZU3
Crystal structure of a cyclodipeptide synthase from Bacillus thermoamylovorans
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 | 2019-09-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 79.840, 79.840, 91.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.455 - 1.780 |
| R-factor | 0.1849 |
| Rwork | 0.183 |
| R-free | 0.21960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ztu |
| Data reduction software | Aimless |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 56.460 | 56.460 | 1.830 |
| High resolution limit [Å] | 1.780 | 7.960 | 1.780 |
| Rmerge | 0.059 | 0.021 | 2.686 |
| Rmeas | 0.061 | 0.021 | 2.739 |
| Rpim | 0.012 | 0.005 | 0.530 |
| Total number of observations | 766387 | 8406 | 55370 |
| Number of reflections | 29166 | 405 | 2098 |
| <I/σ(I)> | 27.9 | 94.2 | 1.4 |
| Completeness [%] | 100.0 | 99.8 | 99.9 |
| Redundancy | 26.3 | 20.8 | 26.4 |
| CC(1/2) | 1.000 | 1.000 | 0.624 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Na Citrate pH 5.5, 37.5 % PEG 550 MME, 5 % 1,2-hexanediol |
