3MLL
Reduced (Cu+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound azide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4C |
Synchrotron site | NSLS |
Beamline | X4C |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-11-17 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.131, 69.138, 79.936 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.000 - 3.250 |
R-factor | 0.24438 |
Rwork | 0.242 |
R-free | 0.29753 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1phm |
RMSD bond length | 0.007 |
RMSD bond angle | 1.057 |
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] | 52.000 | 3.370 |
High resolution limit [Å] | 3.250 | 3.250 |
Number of reflections | 6287 | |
<I/σ(I)> | 25.3 | 2.2 |
Completeness [%] | 99.1 | 91.9 |
Redundancy | 5.7 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | Crystallization: 0.1-0.5mM CuSO4, 1.25 mM NiCl2, 100mM sodium cacodylate pH=5.5, 3mM sodium azide and 5% glycerol. The crystal was first soaked in 5mM ascorbic acid and then soaked in 40mM NaN3 (with 5mM ascorbic acid) for 6 hours at RT., VAPOR DIFFUSION, HANGING DROP, temperature 293K |