5KPG
Pavine N-methyltransferase in complex with S-adenosylhomocysteine pH 7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-09-02 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.980 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.900, 71.970, 95.130 |
| Unit cell angles | 90.00, 99.25, 90.00 |
Refinement procedure
| Resolution | 38.394 - 1.600 |
| R-factor | 0.1887 |
| Rwork | 0.187 |
| R-free | 0.22370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5kn4 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.851 |
| Data reduction software | XDS (Nov. 3, 2014) |
| Data scaling software | XSCALE (Nov. 3, 2014) |
| Phasing software | PHENIX (1.10.1_2155) |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.394 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.040 | 0.626 |
| Number of reflections | 94304 | |
| <I/σ(I)> | 23.7 | 2.4 |
| Completeness [%] | 99.6 | 99.1 |
| Redundancy | 4.2 | 4.2 |
| CC(1/2) | 1.000 | 0.816 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 250 g/L polyethylene glycol 3350, 100 mM sodium HEPES pH 7.0, 75 mM potassium chloride, 40 g/L glycerol |
