4Q3E
PylD cocrystallized with L-Ornithine-Nd-D-lysine 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 | 2013-09-07 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 79.080, 210.460, 77.640 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.200 |
R-factor | 0.18001 |
Rwork | 0.178 |
R-free | 0.21488 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4q39 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.221 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.048 | 0.442 |
Number of reflections | 33310 | |
<I/σ(I)> | 25.8 | 4.7 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.7 |
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 |