3N8I
Crystal structure of the A isoform of human cytoplasmic protein tyrosine phosphatase (HCPTP-A) in complex with 1-naphtylacetic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-20 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.968 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.460, 56.090, 95.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.460 - 1.500 |
R-factor | 0.175 |
Rwork | 0.174 |
R-free | 0.20300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5pnt |
RMSD bond length | 0.008 |
RMSD bond angle | 1.164 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0063) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.127 | 0.389 |
Number of reflections | 27270 | |
<I/σ(I)> | 15.02 | 4.71 |
Completeness [%] | 99.0 | 96.2 |
Redundancy | 12.2 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 22.5% PEG 3350, 0.1M TRIS pH 7.5, 10mM 1-naphthylacetic acid, 2% isopropanol, 1mM TCEP, VAPOR DIFFUSION, SITTING DROP, temperature 298K |