2VCV
Glutathione transferase A3-3 in complex with glutathione and delta-4- androstene-3-17-dione
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-12-17 |
Detector | ADSC CCD |
Spacegroup name | P 1 |
Unit cell lengths | 90.177, 92.064, 113.540 |
Unit cell angles | 89.76, 89.72, 89.73 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.225 |
Rwork | 0.223 |
R-free | 0.26700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tdi |
RMSD bond length | 0.009 |
RMSD bond angle | 1.331 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.070 | 0.380 |
Number of reflections | 338219 | |
<I/σ(I)> | 8 | 1.9 |
Completeness [%] | 94.9 | 93.6 |
Redundancy | 1.9 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | HANGING VAPOUR DROP TECHIQUE WAS USED. 5 UL OF RESERVOIR SOLUTION [100 MM TRIS-HCL PH 7.8, 18% (V/V) PEG 4000, AND 2 MM DITHIOTHREITOL] WAS MIXED WITH 5 UL OF PROTEIN SOLUTION (10 MG/ML IN 10 MM TRIS-HCL PH 7.8), 1UL OF 200 MM SPERMINE AND 1UL OF 25 MM ANDROSTENE DIONE. |