7WFC
X-ray structure of HKU1-PLP2(Cys109Ser) catalytic mutant in complex with free ubiquitin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-20 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.342, 73.659, 96.756 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.750 - 2.600 |
R-factor | 0.1749 |
Rwork | 0.171 |
R-free | 0.25110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wfi |
Data reduction software | CrysalisPro |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.750 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.092 | 0.288 |
Rmeas | 0.107 | 0.334 |
Rpim | 0.054 | 0.166 |
Number of reflections | 16147 | 8987 |
<I/σ(I)> | 11.77 | 4.2 |
Completeness [%] | 99.3 | 99.5 |
Redundancy | 3.7 | 3.9 |
CC(1/2) | 0.993 | 0.931 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1.1 M Ammonium tartrate dibasic, pH 7.0 |