3QMA
Blackfin tuna myoglobin imidazole complex, atomic resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-06-06 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.92 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 34.198, 52.381, 39.022 |
Unit cell angles | 90.00, 104.43, 90.00 |
Refinement procedure
Resolution | 16.780 - 0.940 |
R-factor | 0.1471 |
Rwork | 0.146 |
R-free | 0.16039 |
Structure solution method | RIGID BODY refinement |
Starting model (for MR) | 2nrl |
RMSD bond length | 0.014 |
RMSD bond angle | 1.602 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 16.780 | 0.965 |
High resolution limit [Å] | 0.940 | 0.940 |
Rmerge | 0.065 | 0.469 |
Number of reflections | 79945 | |
<I/σ(I)> | 27.4 | 2.32 |
Completeness [%] | 97.5 | 88.35 |
Redundancy | 5.3 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 0.2 M potassium/sodium tartrate, 0.1 M sodium citrate, 2.0 M ammonium sulfate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |