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 |