1I3D
HUMAN CARBONMONOXY HEMOGLOBIN BART'S (GAMMA4)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 1998-12-10 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.08 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 60.616, 82.837, 53.576 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.700 |
R-factor | 0.211 * |
Rwork | 0.211 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cbm |
RMSD bond length | 0.006 |
RMSD bond angle | 1.100 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.078 | 0.283 |
Total number of observations | 105161 * | |
Number of reflections | 27848 | |
<I/σ(I)> | 8.7 | 3 |
Completeness [%] | 91.5 | 98.5 |
Redundancy | 3.8 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 18 * | acetic acid/KOH, MePEG 5000, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 40 (mg/ml) | |
2 | 1 | drop | HEPES | 0.1 (M) | |
3 | 1 | drop | sodium dithionite | 2 (mM) | |
4 | 1 | reservoir | acetic acid-KOH | 0.2 (M) | |
5 | 1 | reservoir | mPEG5000 | 21 (%) |