2BGD
Structure-based design of Protein Tyrosine Phosphatase-1B Inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 100 |
Collection date | 2002-08-19 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 88.908, 88.908, 104.548 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.110 - 2.400 |
R-factor | 0.166 |
Rwork | 0.164 |
R-free | 0.20000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.413 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.420 | 2.530 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.060 | 0.170 |
Number of reflections | 10524 | |
<I/σ(I)> | 11.2 | 4.49 |
Completeness [%] | 98.6 | 96.3 |
Redundancy | 2.89 | 2.79 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | pH 6.50 |