1RQ4
Crystallographic Analysis of the Interaction of Nitric Oxide with Quaternary-T Human Hemoglobin, HEMOGLOBIN EXPOSED TO NO UNDER AEROBIC CONDITIONS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | AREA DETECTOR |
| Collection date | 1999-02-08 |
| Detector | SDMS |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 97.200, 100.400, 66.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.110 |
| R-factor | 0.20108 |
| Rwork | 0.197 |
| R-free | 0.24100 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rq3 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.510 * |
| Data reduction software | SDMS |
| Data scaling software | SDMS |
| Phasing software | X-PLOR |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 2.270 | |
| High resolution limit [Å] | 2.110 | 2.110 |
| Rmerge | 0.094 | 0.272 |
| Total number of observations | 232434 * | |
| Number of reflections | 36755 | 6499 * |
| <I/σ(I)> | 8.1 | 1.5 |
| Completeness [%] | 96.9 | 87.1 |
| Redundancy | 6.3 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 7 | pH 7.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | human hemoglobin | 10 (mg/ml) | pH7.0 |
| 2 | 1 | 1 | potassium phosphate | 10 (mM) | |
| 3 | 1 | 1 | 100 (mM) | ||
| 4 | 1 | 1 | PEG6000 | 10-12 (%) | |
| 5 | 1 | 1 | sodium dithionite | 3 (mM) |
