3QKP
Protein Tyrosine Phosphatase 1B - Apo W179F mutant with open WPD-loop
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-07-10 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 88.282, 88.282, 104.535 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.227 - 2.050 |
R-factor | 0.2061 |
Rwork | 0.204 |
R-free | 0.24520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2CM2 with the active site water molecules removed |
RMSD bond length | 0.008 |
RMSD bond angle | 1.104 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.120 |
High resolution limit [Å] | 2.050 | 4.420 | 2.050 |
Rmerge | 0.103 | 0.034 | 0.649 |
Number of reflections | 29808 | ||
<I/σ(I)> | 10.5 | ||
Completeness [%] | 98.7 | 99.2 | 97.8 |
Redundancy | 5.9 | 5.9 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 2uL of protein solution (12 mg/mL PTP1B W179F in 10 mM Tris pH 7.5, 25 mM NaCl, 0.2 mM EDTA and 3 mM DTT), 0.5 uL sucrose 30 % (w/v) and 3 uL of precipitant solution (0.1 M Hepes pH 7.5, 0.2 M magnesium acetate and 15-20 % polyethylene glycol 8000). The well solution was 500 uL of precipitant solution., vapor diffusion, sitting drop, temperature 277K |