4CH7
Crystal structure of the siroheme decarboxylase NirDL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-12-06 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.350, 72.090, 51.200 |
| Unit cell angles | 90.00, 100.40, 90.00 |
Refinement procedure
| Resolution | 24.310 - 2.002 |
| R-factor | 0.2277 |
| Rwork | 0.225 |
| R-free | 0.27090 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.766 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AutoSol |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.300 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.030 | 0.470 |
| Number of reflections | 24244 | |
| <I/σ(I)> | 23.3 | 3 |
| Completeness [%] | 98.6 | 94.3 |
| Redundancy | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 19.0% PEG 3350, 0.1M NACIT PH 5.6, 6.7 MM 4-AMINOBENZOIC ACID, 180 MM LICL |
