5CX7
Crystal Structure of PduOC:Heme Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-01 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.300, 130.120, 120.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.070 - 1.970 |
| R-factor | 0.15943 |
| Rwork | 0.158 |
| R-free | 0.18564 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a2l |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.998 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.070 | 2.080 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.091 | 0.385 |
| Number of reflections | 152372 | |
| <I/σ(I)> | 7.8 | 2.6 |
| Completeness [%] | 98.2 | 98.8 |
| Redundancy | 2.64 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 290 | PEG 3350 15% (w/v), 0.1 M magnesium formate |
