3KQY
Crystal Structure of hPNMT in Complex AdoHcy and 2-amino-1H-benzo[d]imidazol-7-ol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-09-04 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 94.525, 94.525, 188.270 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.262 - 2.200 |
| R-factor | 0.229 |
| Rwork | 0.228 |
| R-free | 0.26200 |
| Starting model (for MR) | 1hnn |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.956 |
| 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] | 47.260 | 47.260 | 2.280 |
| High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
| Rmerge | 0.056 | 0.030 | 0.503 |
| Total number of observations | 19053 | 18108 | |
| Number of reflections | 44046 | ||
| <I/σ(I)> | 10 | 29.7 | 2.1 |
| Completeness [%] | 99.8 | 98.4 | 100 |
| Redundancy | 4.19 | 4.02 | 4.15 |
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 |
