3KPJ
Crystal Structure of hPNMT in Complex AdoHcy and Bound Phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-08-03 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 94.420, 94.420, 186.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.383 - 2.500 |
R-factor | 0.213 |
Rwork | 0.211 |
R-free | 0.26700 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1hnn |
RMSD bond length | 0.007 |
RMSD bond angle | 1.121 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | CNS |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.380 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.050 | 0.525 |
Total number of observations | 11110 | |
Number of reflections | 29790 | |
<I/σ(I)> | 11.7 | 2.2 |
Completeness [%] | 99.1 | 99.9 |
Redundancy | 3.77 | 3.76 |
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 |