6RPD
Structure of ferrous KpDyP in complex with cyanide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-24 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.991874 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.570, 75.740, 75.710 |
| Unit cell angles | 90.00, 107.85, 90.00 |
Refinement procedure
| Resolution | 40.620 - 1.520 |
| R-factor | 0.172 |
| Rwork | 0.171 |
| R-free | 0.18900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6fks |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.120 |
| Data reduction software | xia2 |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.620 | 1.530 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Number of reflections | 81557 | 956 |
| <I/σ(I)> | 10.2 | |
| Completeness [%] | 97.8 | 97.4 |
| Redundancy | 3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293.15 | 23% w/v PEG 3350, 0.1 M MgCl2, 0.1 M Tris-HCl, pH 8.5 |
