1USB
Rational design of a novel enzyme - efficient thioester hydrolysis enabled by the incorporation of a single His residue into human glutathione transferase A1-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-03-15 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 98.906, 92.050, 51.272 |
| Unit cell angles | 90.00, 93.21, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.070 |
| R-factor | 0.192 |
| Rwork | 0.189 |
| R-free | 0.24500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1gsd |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.603 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.420 | 2.180 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.093 | 0.290 |
| Number of reflections | 28011 | |
| <I/σ(I)> | 6.6541 | 2.43 |
| Completeness [%] | 99.0 | 93.4 |
| Redundancy | 5.02 | 3.17 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 0.1 M TRISHCL PH 7.8, 26 % PEG4000, 2 MM DITHIOTHREITOL |
