3QCK
Human receptor protein tyrosine phosphatase gamma, domain 1, in complex with 2-[(3,4-dichlorobenzyl)sulfanyl]benzoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-04-18 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 75.500, 75.500, 152.100 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.040 - 2.050 |
| R-factor | 0.234 |
| Rwork | 0.233 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qcd |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.800 |
| Data reduction software | HKL-2000 ((DENZO)) |
| Data scaling software | HKL-2000 ((SCALEPACK)) |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.073 | 0.678 |
| Number of reflections | 32729 | |
| <I/σ(I)> | 18 | 3.2 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 6.6 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 277 | pH 7.0, vapor diffusion, temperature 277K |
