33CV
Chlororaphen Synthase from Pseudomonas chlororaphis (Pc-ChloS) in complex with prechlororaphen thiolopyrophosphate (a-PCSPP)
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2026-05-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9393 |
| Spacegroup name | P 1 |
| Unit cell lengths | 49.150, 52.290, 71.210 |
| Unit cell angles | 105.25, 101.22, 93.39 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.18595 |
| Rwork | 0.184 |
| R-free | 0.22221 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.261 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.106 | 0.824 |
| Number of reflections | 51470 | 7235 |
| <I/σ(I)> | 8.5 | 2.1 |
| Completeness [%] | 97.9 | 96.2 |
| Redundancy | 5.2 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 293 | 1 M Na/K-phosphate |
