6B90
Multiconformer model of apo WT PTP1B with glycerol at 100 K (ALTERNATIVE REFINEMENT OF PDB 1SUG showing conformational heterogeneity)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-11-28 |
Detector | MARRESEARCH |
Wavelength(s) | 0.8110 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 88.118, 88.118, 103.900 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.817 - 1.950 |
R-factor | 0.1594 |
Rwork | 0.158 |
R-free | 0.19260 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.014 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Number of reflections | 34528 | 3375 |
<I/σ(I)> | 26.4 | 4.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | well solution: PEG 8000, magnesium acetate, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |