5KN4
Pavine N-methyltransferase apoenzyme pH 6.0
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 | 2014-05-20 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.984, 0.97915, 0.95369, 0.97932 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.743, 72.301, 97.136 |
| Unit cell angles | 90.00, 99.75, 90.00 |
Refinement procedure
| Resolution | 38.946 - 1.990 |
| R-factor | 0.1984 |
| Rwork | 0.196 |
| R-free | 0.25290 |
| Structure solution method | MAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.164 |
| Data reduction software | XDS (Nov 11, 2013) |
| Data scaling software | XSCALE (Nov 11, 2013) |
| Phasing software | PHENIX (1.9_1692) |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.040 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.074 | 0.794 |
| Number of reflections | 47373 | |
| <I/σ(I)> | 11.9 | 1.5 |
| Completeness [%] | 94.1 | 78.5 |
| Redundancy | 5.3 | 4 |
| CC(1/2) | 0.998 | 0.752 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 295 | 230 g/L pentaerythritol ethoxylate (15/4 EO/OH), 50 mM Bis-tris-Cl pH 6.0, 70 mM ammonium sulfate, 120 g/L glycerol |
