6XUB
Structure of coproheme decarboxylase from Corynebacterium diphteriae in complex with monovinyl monopropionyl deuteroheme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 170 |
| Detector technology | PIXEL |
| Collection date | 2017-11-04 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.969, 123.382, 78.009 |
| Unit cell angles | 90.00, 98.71, 90.00 |
Refinement procedure
| Resolution | 48.189 - 1.780 |
| R-factor | 0.1764 |
| Rwork | 0.174 |
| R-free | 0.22720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dtz |
| Data reduction software | EDNA |
| Data scaling software | EDNA |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.192 | 1.621 |
| High resolution limit [Å] | 1.565 | 1.565 |
| Number of reflections | 156754 | 14679 |
| <I/σ(I)> | 6.33 | |
| Completeness [%] | 98.0 | 92.16 |
| Redundancy | 3.05 | |
| CC(1/2) | 0.996 | 0.223 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | PEG 33500, MgCl2 |
