1OEM
PTP1B with the catalytic cysteine oxidized to a sulfenyl-amide bond
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-07-15 |
Detector | ADSC CCD |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 88.218, 88.218, 103.787 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 76.700 - 1.800 |
R-factor | 0.204 |
Rwork | 0.203 |
R-free | 0.22600 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hnp |
RMSD bond length | 0.020 |
RMSD bond angle | 1.785 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.840 |
High resolution limit [Å] | 1.750 | 1.800 |
Rmerge | 0.039 | 0.355 |
Total number of observations | 308523 * | |
Number of reflections | 43606 | |
<I/σ(I)> | 26.26 | 26.26 |
Completeness [%] | 99.5 | 99.3 |
Redundancy | 7.07 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 7.5 | 20 * | Barford, D., (1994) Science, 263, 1397. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | HEPES | 0.1 (M) | |
2 | 1 | 1 | magnesium acetate | 0.2 (M) | |
3 | 1 | 1 | PEG8000 | 14 (%(w/v)) | |
4 | 1 | 1 | protein | 10 (mg/ml) |