4B0T
Structure of the Pup Ligase PafA of the Prokaryotic Ubiquitin-like Modification Pathway in Complex with ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2011-06-08 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.100, 118.810, 163.020 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.417 - 2.159 |
| R-factor | 0.1794 |
| Rwork | 0.177 |
| R-free | 0.21910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.202 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (FOR MR) |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.000 | 2.200 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.050 | 0.640 |
| Number of reflections | 65412 | |
| <I/σ(I)> | 17.6 | 2.39 |
| Completeness [%] | 99.2 | 99.9 |
| Redundancy | 3.7 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | 100 MM CHES-NAOH, PH 9.0 (278 K), 200 MM LI2SO4 AND 22 % (V/V) PEG-4000 |
