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. |