3KQP
Crystal Structure of hPNMT in Complex AdoHcy and 6-Aminoquinoline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-06 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 93.568, 93.568, 188.745 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.410 - 2.400 |
R-factor | 0.235 |
Rwork | 0.231 |
R-free | 0.30200 |
Starting model (for MR) | 1hnn |
RMSD bond length | 0.006 |
RMSD bond angle | 0.935 |
Data reduction software | d*TREK |
Data scaling software | d*TREK (9.7 W8RSSI) |
Phasing software | MIFit |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.410 | 45.410 | 2.490 |
High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
Rmerge | 0.138 | 0.053 | 0.338 |
Total number of observations | 5425 | 9578 | |
Number of reflections | 30322 | ||
<I/σ(I)> | 6.2 | 13.2 | 2.9 |
Completeness [%] | 90.3 | 68 | 82.9 |
Redundancy | 4.99 | 2.09 | 3.53 |
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 |