1LQF
Structure of PTP1b in Complex with a Peptidic Bisphosphonate Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1998-12-09 |
Detector | MARRESEARCH |
Wavelength(s) | 1.00 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 186.866, 154.421, 64.598 |
Unit cell angles | 90.00, 94.56, 90.00 |
Refinement procedure
Resolution | 30.000 * - 2.500 |
R-factor | 0.231 |
Rwork | 0.228 |
R-free | 0.28600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pty |
RMSD bond length | 0.012 * |
RMSD bond angle | 1.500 * |
Data scaling software | X-GEN |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 * | 2.650 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.121 * | 0.380 * |
Total number of observations | 176274 * | |
Number of reflections | 61097 | 9039 * |
<I/σ(I)> | 6 | 1.5 |
Completeness [%] | 96.9 | 86.4 |
Redundancy | 2.8 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 * | 4 * | Peg 4000, propanol, citrate, pH 5.9, VAPOR DIFFUSION, SITTING DROP, temperature 284K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 5 (mg/ml) | |
2 | 1 | drop | HEPES | 20 (mM) | pH7.0 |
3 | 1 | drop | 50 (mM) | ||
4 | 1 | drop | EDTA | 1 (mM) | |
5 | 1 | drop | DMH | 2 (mM) | |
6 | 1 | reservoir | PEG4000 | 14 (%) | |
7 | 1 | reservoir | propanol | 10 (%) | |
8 | 1 | reservoir | citrate | 100 (mM) | pH5.9 |