2NSS
Nitrobenzene Modified Horse Heart Myoglobin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-05-10 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54180 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.248, 28.847, 65.983 |
Unit cell angles | 90.00, 105.63, 90.00 |
Refinement procedure
Resolution | 19.740 - 2.000 |
R-factor | 0.189 |
Rwork | 0.181 |
R-free | 0.26600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1npg |
RMSD bond length | 0.024 |
RMSD bond angle | 1.950 |
Data reduction software | d*TREK |
Data scaling software | d*TREK (9.2D) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 21.910 | 21.910 | 2.070 |
High resolution limit [Å] | 2.000 | 4.300 | 2.000 |
Rmerge | 0.079 | 0.039 | 0.314 |
Total number of observations | 4531 | 3872 | |
Number of reflections | 8578 | ||
<I/σ(I)> | 12.5 | 31.5 | 4.2 |
Completeness [%] | 97.5 | 99.8 | 93.6 |
Redundancy | 4.88 | 4.78 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 295 | Ammonium sulfate, Tris-HCL, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K |