6XEF
Crystal structure of the PTP1B YopH WPD loop Chimera 4 bound to vanadate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-04-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97946 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 88.384, 88.384, 104.879 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.192 - 2.048 |
R-factor | 0.1825 |
Rwork | 0.181 |
R-free | 0.20280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qkp |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.8.1) |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.120 |
High resolution limit [Å] | 2.048 | 4.420 | 2.050 |
Rmerge | 0.142 | 0.109 | 1.098 |
Rmeas | 0.146 | 0.113 | 1.171 |
Rpim | 0.035 | 0.027 | 0.394 |
Number of reflections | 30280 | 3204 | 2914 |
<I/σ(I)> | 7.5 | ||
Completeness [%] | 99.8 | 99.9 | 98.5 |
Redundancy | 16.4 | 17.3 | 8.2 |
CC(1/2) | 0.997 | 0.576 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 277.15 | tris hydrochloride pH 7.8, magnesium acetate tetrahydrate, PEG 8000 and benzamidine |