1HDB
ANALYSIS OF THE CRYSTAL STRUCTURE, MOLECULAR MODELING AND INFRARED SPECTROSCOPY OF THE DISTAL BETA-HEME POCKET VALINE67(E11)-THREONINE MUTATION OF HEMOGLOBIN
Experimental procedure
Collection date | 1994-07-04 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.540, 83.190, 54.020 |
Unit cell angles | 90.00, 99.15, 90.00 |
Refinement procedure
Resolution | 6.000 - 2.200 |
R-factor | 0.149 |
RMSD bond length | 0.017 |
RMSD bond angle | 0.038 |
Data reduction software | XENGEN |
Refinement software | GPRLSA |
Data quality characteristics
Overall | |
High resolution limit [Å] | 2.200 * |
Rmerge | 0.070 * |
Number of reflections | 27163 |
Completeness [%] | 84.0 |
Redundancy | 2.75 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Batch method * | 6.5 * | Perutz, M.F., (1968) J.Crystal Growth, 2, 54. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | 4 (M) | ||
2 | 1 | 1 | 2 (M) | ||
3 | 1 | 1 | 2 (M) |