3FS4
Crystal structure determination of Ostrich hemoglobin at 2.2 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-10 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.54159 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.794, 81.573, 101.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.620 - 2.220 |
R-factor | 0.21765 |
Rwork | 0.216 |
R-free | 0.25602 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1faw |
RMSD bond length | 0.016 |
RMSD bond angle | 1.575 |
Data reduction software | AUTOMAR |
Data scaling software | SCALEPACK |
Phasing software | PHASES |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.600 | 2.300 |
High resolution limit [Å] | 2.220 | 2.220 |
Number of reflections | 33356 | |
<I/σ(I)> | 6.5 | 1.7 |
Redundancy | 3.91 | 3.67 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 20% PEG 3350, 50mM Na Phosphate buffer, pH 7.20, VAPOR DIFFUSION, HANGING DROP, temperature 293K |