2ONZ
Structure of K57A hPNMT with inhibitor 7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-09-08 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 94.490, 94.490, 187.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.450 - 2.800 |
| Rwork | 0.216 |
| R-free | 0.26400 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1hnn |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.4SSI) |
| Phasing software | CNS |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 54.450 | 54.450 | 2.900 |
| High resolution limit [Å] | 2.800 | 6.030 | 2.800 |
| Rmerge | 0.076 | 0.027 | 0.514 |
| Total number of observations | 10181 | 10029 | |
| Number of reflections | 21552 | ||
| <I/σ(I)> | 10.4 | 30.5 | 2.1 |
| Completeness [%] | 99.3 | 96.8 | 99.9 |
| Redundancy | 4.66 | 4.44 | 4.68 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | PEG6K, LiCl, cacodylate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
