1IRD
Crystal Structure of Human Carbonmonoxy-Haemoglobin at 1.25 A Resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-11-29 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.7 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 53.270, 53.270, 190.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.250 |
| Rwork | 0.163 |
| R-free | 0.21430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hco |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.027 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | X-PLOR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.320 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.061 | 0.533 |
| Number of reflections | 76777 | |
| <I/σ(I)> | 5.8 | 1.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.6 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SMALL TUBES | 6.7 | 298 | potassium phosphate, pH 6.7, SMALL TUBES, temperature 298K |
