4BJR
Crystal structure of the complex between Prokaryotic Ubiquitin-like Protein Pup and its Ligase PafA
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 | 2012-10-17 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.840, 84.020, 215.110 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.131 - 2.800 |
| R-factor | 0.2149 |
| Rwork | 0.213 |
| R-free | 0.24750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4b0t |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.118 |
| 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] | 39.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.110 | 0.670 |
| Number of reflections | 29211 | |
| <I/σ(I)> | 11.8 | 2.44 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 4.9 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.8 | 100 MM MES, PH 6.8 (RT), 150 - 200 MM SODIUM TARTRATE, 2 - 4 % PEG 4000 |
