2W72
DEOXYGENATED STRUCTURE OF A DISTAL SITE HEMOGLOBIN MUTANT PLUS XE
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 | 2000-05-09 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.957, 82.447, 53.531 |
Unit cell angles | 90.00, 99.60, 90.00 |
Refinement procedure
Resolution | 17.320 - 1.070 |
R-factor | 0.13 |
Rwork | 0.129 |
R-free | 0.15300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qi8 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.899 |
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] | 17.600 | 1.120 |
High resolution limit [Å] | 1.070 | 1.070 |
Rmerge | 0.040 | 0.180 |
Number of reflections | 250223 | |
<I/σ(I)> | 25.8 | 2.5 |
Completeness [%] | 91.1 | 90.2 |
Redundancy | 4 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 3.2M AMMONIUM SULPHATE 0.1M AMMONIUM PHOSPHATE 0.3M K PHOSPHATE PH 6.7 |