33CU
Chlororaphen Synthase from Pseudomonas chlororaphis (Pc-ChloS) in complex with thiopyrophosphate and BisTris-buffer
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 | 49.270, 52.430, 68.740 |
| Unit cell angles | 104.54, 94.31, 92.18 |
Refinement procedure
| Resolution | 30.000 - 1.250 |
| R-factor | 0.13628 |
| Rwork | 0.135 |
| R-free | 0.15813 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.391 |
| 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 | 1.350 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.060 | 0.713 |
| Number of reflections | 174696 | 35178 |
| <I/σ(I)> | 9.8 | |
| Completeness [%] | 95.2 | 93 |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M (NH4)2CO3, 0.1 M BisTris, 17% PEG 10000 |
