6B8X
Multiconformer model of apo WT PTP1B with glycerol at 278 K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 278 |
Detector technology | PIXEL |
Collection date | 2014-05-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 89.520, 89.520, 106.250 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.230 - 1.740 |
R-factor | 0.1764 |
Rwork | 0.175 |
R-free | 0.20590 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.076 |
Data reduction software | XDS (March 1, 2015) |
Data scaling software | XSCALE (March 1, 2015) |
Phasing software | PHASER |
Refinement software | PHENIX (1.12) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 34.230 | 34.230 | 1.790 |
High resolution limit [Å] | 1.740 | 7.780 | 1.740 |
Rmerge | 0.098 | 0.021 | 1.248 |
Rmeas | 0.107 | 0.024 | 1.361 |
Number of reflections | 50498 | 618 | 3644 |
<I/σ(I)> | 17.01 | 57.82 | 1.51 |
Completeness [%] | 99.0 | 95.1 | 98.3 |
Redundancy | 5.923 | 5.013 | 6.204 |
CC(1/2) | 0.999 | 0.999 | 0.484 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 277 | well solution: 0.3 M magnesium acetate, 0.1 M HEPES pH 7.5, 0.1% beta-mercaptoethanol, 16% PEG 8000, 2% ethanol, 10% glycerol |