3QCL
Human receptor protein tyrosine phosphatase gamma, domain 1, in complex with 2-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-hydroxybut-1-yn-1-yl)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 | 2006-10-30 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 75.500, 75.500, 151.800 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.800 - 2.400 |
| R-factor | 0.219 |
| Rwork | 0.217 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qcd |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.080 |
| Data reduction software | HKL-2000 ((DENZO)) |
| Data scaling software | HKL-2000 ((SCALEPACK)) |
| Phasing software | AMoRE |
| Refinement software | BUSTER-TNT (BUSTER 2.9.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.207 | 0.781 |
| Number of reflections | 20275 | |
| <I/σ(I)> | 9.2 | 4.6 |
| Completeness [%] | 99.5 | 99.4 |
| Redundancy | 8.1 | 8.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 277 | pH 8.0, vapor diffusion, temperature 277K |
