5OHE
Globin sensor domain of AfGcHK (FeIII form) in complex with cyanide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-05-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 78.069, 78.069, 441.819 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.820 - 1.850 |
| R-factor | 0.19438 |
| Rwork | 0.192 |
| R-free | 0.24133 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w31 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.628 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MoRDa |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.820 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.139 | 1.157 |
| Rpim | 0.059 | 0.517 |
| Number of reflections | 118539 | 5739 |
| <I/σ(I)> | 11.1 | 1.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.9 | 10.9 |
| CC(1/2) | 0.998 | 0.804 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 298 | 20.7% (w/v) PEG3350, 200 mM MgCl2, 0.01 M KCN, 7.5% (v/v) glycerol, 0.1 M MMT buffer system (DL-Malic acid, MES monohydrate, Tris, NaOH, HCl), pH 6.7 |
