3S48
Human Alpha-Haemoglobin Complexed with the First NEAT Domain of IsdH from Staphylococcus aureus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.95370 |
Spacegroup name | I 41 |
Unit cell lengths | 115.607, 115.607, 142.333 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 89.740 - 3.050 |
R-factor | 0.24153 |
Rwork | 0.240 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ovu |
RMSD bond length | 0.004 |
RMSD bond angle | 0.640 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 89.740 | 3.100 |
High resolution limit [Å] | 3.050 | 3.050 |
Number of reflections | 16833 | |
Completeness [%] | 99.4 | 99.46 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2M sodium sulphate, 0.1M Bis Tris propane, 16%(w/v) PEG 3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |