33CT
Chlororaphen Synthase from Pseudomonas chlororaphis (Pc-ChloS) in complex with pyrophosphate
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 | 2025-03-16 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0597 |
| Spacegroup name | P 1 |
| Unit cell lengths | 49.490, 52.600, 68.960 |
| Unit cell angles | 105.08, 93.26, 92.02 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.18417 |
| Rwork | 0.182 |
| R-free | 0.22549 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.110 |
| 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 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.096 | 0.763 |
| Number of reflections | 42646 | 5808 |
| <I/σ(I)> | 8.3 | 2 |
| Completeness [%] | 94.1 | 93.8 |
| Redundancy | 3.2 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1 M (NH4)2CO3, 0.1 M MES, 17% PEG 10000 |
