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 |
