3MIE
Oxidized (Cu2+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound azide obtained by soaking (50mM NaN3)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-01-01 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.719, 68.991, 81.259 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.560 - 3.260 |
R-factor | 0.19352 |
Rwork | 0.191 |
R-free | 0.23954 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1phm |
RMSD bond length | 0.012 |
RMSD bond angle | 1.201 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.000 | 3.370 |
High resolution limit [Å] | 3.250 | 3.250 |
Number of reflections | 6295 | |
<I/σ(I)> | 20.9 | 4.3 |
Completeness [%] | 98.7 | 99.5 |
Redundancy | 5.6 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | Crystallization: 0.1-0.5mM CuSO4, 1.25mM NiCl2, 100mM sodium cacodylate pH=5.5, 3mM sodium azide and 5% glycerol. Then, soaking in mother liquor supplemented with 50mM NaN3 for 26 hours at 293K., VAPOR DIFFUSION, HANGING DROP |