3KR2
Crystal Structure of hPNMT in Complex AdoHcy and 5-fluoro-1H-benzo[d]imidazol-2-amine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2000-09-04 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 94.426, 94.426, 188.185 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.717 - 2.300 |
R-factor | 0.214 |
Rwork | 0.212 |
R-free | 0.24700 |
Starting model (for MR) | 1hnn |
RMSD bond length | 0.008 |
RMSD bond angle | 1.089 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.720 | 45.720 | 2.380 |
High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
Rmerge | 0.060 | 0.032 | 0.477 |
Total number of observations | 15439 | 14754 | |
Number of reflections | 38507 | ||
<I/σ(I)> | 10 | 29.5 | 2.3 |
Completeness [%] | 99.7 | 97.9 | 100 |
Redundancy | 3.87 | 3.7 | 3.89 |
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 |