9J61
Crystal structure of a cyclodipeptide synthase from Streptomyces sapporonensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-06-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 |
| Unit cell lengths | 85.590, 89.440, 93.350 |
| Unit cell angles | 70.85, 67.04, 61.54 |
Refinement procedure
| Resolution | 28.620 - 2.100 |
| R-factor | 0.2371 |
| Rwork | 0.234 |
| R-free | 0.29210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.558 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.720 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.045 | 0.445 |
| Rmeas | 0.063 | 0.630 |
| Rpim | 0.045 | 0.445 |
| Total number of observations | 208361 | 10979 |
| Number of reflections | 117382 | 6011 |
| <I/σ(I)> | 10.6 | 2.5 |
| Completeness [%] | 91.1 | |
| Redundancy | 1.8 | 1.8 |
| CC(1/2) | 0.997 | 0.640 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 0.18 M ammonium citrate, 20% w/v PEG 3350 |
