3NML
Sperm whale myoglobin mutant H64W carbonmonoxy-form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-04-10 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.930, 46.960, 89.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.711 - 1.680 |
R-factor | 0.1689 |
Rwork | 0.166 |
R-free | 0.19600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2mbw |
RMSD bond length | 0.019 |
RMSD bond angle | 1.242 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | CNS |
Refinement software | PHENIX (1.6.1_357) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.590 | 41.590 | 1.740 |
High resolution limit [Å] | 1.680 | 3.620 | 1.680 |
Rmerge | 0.041 | 0.029 | 0.159 |
Total number of observations | 7704 | 5738 | |
Number of reflections | 19145 | ||
<I/σ(I)> | 19.7 | 51.6 | 7 |
Completeness [%] | 98.9 | 99.5 | 94.7 |
Redundancy | 3.71 | 3.61 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Batch Method | 9 | 293 | Protein solution (20mg/ml protein in 0.02m Tris-HCl ph9.0) mixed with mother liquor (3.2m ammonium sulphate, 0.05m tris-hcl, ph9.0) for final concentrations of 2.5m ammonium sulphate, Batch Method, temperature 293K |