3KR0
Crystal Structure of hPNMT in Complex AdoHcy and 2-amino-1H-benzo[d]imidazol-6-ol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2000-09-03 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 94.303, 94.303, 188.517 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.732 - 2.600 |
R-factor | 0.22 |
Rwork | 0.217 |
R-free | 0.25700 |
Starting model (for MR) | 1hnn |
RMSD bond length | 0.008 |
RMSD bond angle | 1.229 |
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] | 45.730 | 45.730 | 2.690 |
High resolution limit [Å] | 2.600 | 5.600 | 2.600 |
Rmerge | 0.065 | 0.027 | 0.376 |
Total number of observations | 8810 | 8377 | |
Number of reflections | 26367 | ||
<I/σ(I)> | 9.6 | 29.7 | 2.3 |
Completeness [%] | 97.8 | 92.7 | 99.3 |
Redundancy | 3.18 | 3.23 | 3.16 |
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 |