5UTA
Sperm whale myoglobin H64Q with nitrite
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-11-09 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54178 |
Spacegroup name | P 6 |
Unit cell lengths | 90.388, 90.388, 45.244 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.000 - 1.810 |
R-factor | 0.1617 |
Rwork | 0.160 |
R-free | 0.20090 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.021 |
RMSD bond angle | 2.135 |
Data scaling software | HKL-3000 |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.840 |
High resolution limit [Å] | 1.810 | 4.910 | 1.810 |
Rmerge | 0.068 | 0.074 | 0.116 |
Rmeas | 0.070 | 0.078 | 0.121 |
Rpim | 0.017 | 0.023 | 0.034 |
Number of reflections | 19390 | ||
<I/σ(I)> | 41.8 | ||
Completeness [%] | 99.9 | 98.2 | 100 |
Redundancy | 16.8 | 13.3 | 12.6 |
CC(1/2) | 0.985 | 0.995 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | 0.1 M Tris-HCl, 1 mM EDTA, pH 9 2.5 M Ammonium Sulfate |