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 |
