4Q3A
PylD cocrystallized with L-Lysine-Ne-3S-methyl-L-ornithine and NAD+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-11-10 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 87.490, 259.850, 48.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.200 |
| R-factor | 0.17112 |
| Rwork | 0.169 |
| R-free | 0.20448 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4q39 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.273 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.079 | 0.551 |
| Number of reflections | 57408 | |
| <I/σ(I)> | 15.3 | 3.1 |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1 M TRIS, 27% PEG3350, 0.2 M NaCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
