1UIW
Crystal Structures of Unliganded and Half-Liganded Human Hemoglobin Derivatives Cross-Linked between Lys 82beta1 and Lys 82beta2
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 | 2003-04-20 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.137, 96.338, 102.476 |
| Unit cell angles | 90.00, 101.79, 90.00 |
Refinement procedure
| Resolution | 29.000 * - 1.500 |
| R-factor | 0.17349 |
| Rwork | 0.172 |
| R-free | 0.20500 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bij |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.562 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.048 | 0.176 |
| Total number of observations | 684867 * | |
| Number of reflections | 182747 | |
| <I/σ(I)> | 16.5 | |
| Completeness [%] | 95.6 | 74.3 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 7 * | 293 | PEG6000, pH 6.60, SMALL TUBES, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | Hb | 1 (%) | |
| 2 | 1 | 1 | PEG6000 | 10 (%) | |
| 3 | 1 | 1 | 100 (mM) | ||
| 4 | 1 | 1 | potassium phosphate | 10 (mM) | pH7.0 |
| 5 | 1 | 1 | sodium dithionite | 5 (mM) |
