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) |