6HK2
Crystal structure of ferric R-state human methemoglobin bound to maleimide-deferoxamine bifunctional chelator (DFO)
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 | 2017-12-12 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.807, 62.863, 153.594 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.690 - 1.550 |
| R-factor | 0.16882 |
| Rwork | 0.167 |
| R-free | 0.21178 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3p5q |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.744 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.800 | 1.640 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmeas | 0.550 | |
| Number of reflections | 139941 | 18776 |
| <I/σ(I)> | 25.9 | 2.01 |
| Completeness [%] | 94.2 | 78 |
| Redundancy | 4 | 2.9 |
| CC(1/2) | 0.870 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 5.8 | 293 | 2.4 M (NH4)2SO4, 0.23 M (NH4)2HPO4, 0.07 M (NH4)H2PO4 |
