5LRT
Structure of the Deamidase-Depupylase Dop of the Prokaryotic Ubiquitin-like Modification Pathway in Complex with ADP and Phosphate
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 | 2013-08-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.99998 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 72.398, 72.398, 215.250 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.199 - 1.850 |
| R-factor | 0.168 |
| Rwork | 0.167 |
| R-free | 0.19770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 4b0r |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.127 |
| Data reduction software | XDS (VERSION March 30, 2013) |
| Data scaling software | Aimless (0.5.23) |
| Phasing software | PHASER (2.6.0) |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.200 | 36.200 | 1.890 |
| High resolution limit [Å] | 1.850 | 9.060 | 1.850 |
| Rmerge | 0.044 | 0.022 | 1.498 |
| Rmeas | 0.047 | ||
| Rpim | 0.016 | ||
| Total number of observations | 506782 | ||
| Number of reflections | 56972 | ||
| <I/σ(I)> | 24.3 | ||
| Completeness [%] | 100.0 | 98.9 | 100 |
| Redundancy | 8.9 | 8.4 | 9 |
| CC(1/2) | 1.000 | 1.000 | 0.615 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 18-23% (w/v) PEG 3350, 100mM bis-tris propane pH 8.25-9.0 at 20 degC, 200mM KSCN, 20mM MgCl2 and 5mM ATP |
