2W6V
Structure of Human deoxy Hemoglobin A in complex with Xenon
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-05-10 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.645, 82.328, 53.552 |
| Unit cell angles | 90.00, 99.79, 90.00 |
Refinement procedure
| Resolution | 22.900 - 1.800 |
| R-factor | 0.165 |
| Rwork | 0.162 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hhb |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.624 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.000 | 1.940 |
| High resolution limit [Å] | 1.800 | 1.790 |
| Rmerge | 0.040 | 0.240 |
| Number of reflections | 49841 | |
| <I/σ(I)> | 19.5 | 2.5 |
| Completeness [%] | 98.8 | 97.2 |
| Redundancy | 4.3 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 3.2M (NH4)2SO4, 0.1M (NH4)H2PO4, 0.3M (NH4)2HPO4, PH 6.5, 0.2% DITHIONITE. |
