3HCB
Crystal Structure of hPNMT in Complex With Noradrenochrome and AdoHcy
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-08-25 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 94.210, 94.210, 187.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.500 - 2.400 |
R-factor | 0.202 |
Rwork | 0.198 |
R-free | 0.23900 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1hnn |
RMSD bond length | 0.004 |
RMSD bond angle | 0.903 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.500 | 2.430 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.078 | 0.478 |
Number of reflections | 33903 | |
<I/σ(I)> | 14.6 | 4.2 |
Redundancy | 7.85 | 7.78 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 298 | PEG6K, LiCl, cacodylate, pH 5.8, vapor diffusion, hanging drop, temperature 298K |