2VCT
Glutathione transferase A2-2 in complex with delta-4-andostrene-3-17- dione
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-11-25 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 105.546, 97.343, 110.302 |
Unit cell angles | 90.00, 115.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.100 |
R-factor | 0.221 |
Rwork | 0.217 |
R-free | 0.28800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2VCR |
RMSD bond length | 0.013 |
RMSD bond angle | 1.432 |
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 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.130 | 0.480 |
Number of reflections | 111829 | |
<I/σ(I)> | 4.3 | 1.6 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 3.6 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | HANGING DROP VAPOUR TECHNIQUE 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 20 MM ANDROSTENE DIONE. |