5K9W
Protein Tyrosine Phosphatase 1B (1-301) in complex with TCS401, closed state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-11-09 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 88.555, 88.555, 103.867 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.972 - 2.010 |
R-factor | 0.1863 |
Rwork | 0.185 |
R-free | 0.21480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1c88 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.255 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.040 |
High resolution limit [Å] | 2.010 | 5.450 | 2.010 |
Rmerge | 0.098 | 0.043 | 0.587 |
Total number of observations | 330277 | ||
Number of reflections | 31867 | ||
<I/σ(I)> | 6.7 | ||
Completeness [%] | 99.9 | 99.6 | 99.1 |
Redundancy | 10.4 | 10.2 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 0.1 M Tris, pH 8.0, 0.2 M MgCl2, 20% PEG8000 |