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 |
