3QCI
Human receptor protein tyrosine phosphatase gamma, domain 1, in complex with N-[(3-aminophenyl)sulfonyl]-3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxamide
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 | 2006-05-30 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 75.400, 75.400, 153.800 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.320 - 2.270 |
R-factor | 0.24 |
Rwork | 0.239 |
R-free | 0.28900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qcd |
RMSD bond length | 0.008 |
RMSD bond angle | 1.000 |
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 | 2.340 |
High resolution limit [Å] | 2.260 | 2.260 |
Rmerge | 0.098 | 0.521 |
Number of reflections | 24039 | |
<I/σ(I)> | 16.4 | 4.7 |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 9.5 | 9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 277 | pH 7.0, vapor diffusion, temperature 277K |