3MJU
Crystal structure determination of pigeon (columba livia) haemoglobin at 3.5 angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 82.061, 82.061, 106.095 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.990 - 3.500 |
R-factor | 0.24327 |
Rwork | 0.236 |
R-free | 0.31199 |
Structure solution method | PHASER |
Starting model (for MR) | 1a4f |
RMSD bond length | 0.011 |
RMSD bond angle | 1.415 |
Data reduction software | AUTOMAR |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.630 |
High resolution limit [Å] | 3.500 | 3.500 |
Number of reflections | 4263 | |
<I/σ(I)> | 1.8 | 0.7 |
Completeness [%] | 96.2 | 99.2 |
Redundancy | 6.01 | 6.14 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | VAPOR DIFFUSION, HANGING DROP, temperature 293K |