5BZ0
Crystal structure of IBV papain-like protease PLpro C101S mutant in complex with ubiquitin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-05-10 |
Detector | RIGAKU AFC11 |
Wavelength(s) | 1.5 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.058, 74.812, 95.502 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.681 - 2.100 |
R-factor | 0.193 |
Rwork | 0.191 |
R-free | 0.22760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4x2z |
RMSD bond length | 0.009 |
RMSD bond angle | 1.182 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
Rmerge | 0.055 | 0.030 | 0.207 |
Total number of observations | 189910 | ||
Number of reflections | 27041 | ||
<I/σ(I)> | 17.1 | ||
Completeness [%] | 99.9 | 98.6 | 100 |
Redundancy | 7 | 6.6 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.1 M HEPES pH 7.5, 20% w/v Polyethylene glycol 10,000. |