5X79
Human GST Pi conjugated with novel inhibitor, GS-ESF
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-06-17 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 78.041, 89.430, 68.967 |
| Unit cell angles | 90.00, 98.43, 90.00 |
Refinement procedure
| Resolution | 42.130 - 1.900 |
| R-factor | 0.2 |
| Rwork | 0.198 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a2r |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.414 |
| Data reduction software | HKL-2000 |
| Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.132 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 36851 | |
| <I/σ(I)> | 10.7 | |
| Completeness [%] | 100.0 | |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 100 mM MES, pH 6.0, 22% PEG8000, 20 mM calcium chloride, 10 mM DTT |
