3QCF
Human receptor protein tyrosine phosphatase gamma, domain 1, in complex with 3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxylic acid via co-crystallization
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-12-15 |
Detector | RIGAKU SATURN 92 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.900, 82.300, 126.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.380 - 2.500 |
R-factor | 0.265 |
Rwork | 0.263 |
R-free | 0.32400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qcb |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.099 | 0.595 |
Number of reflections | 27695 | |
<I/σ(I)> | 18.4 | 3.3 |
Completeness [%] | 99.4 | 100 |
Redundancy | 6.7 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 277 | pH 6.5, vapor diffusion, temperature 277K |