3PGT
CRYSTAL STRUCTURE OF HGSTP1-1[I104] COMPLEXED WITH THE GSH CONJUGATE OF (+)-ANTI-BPDE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1997-03 |
Detector | MAC Science DIP-2020 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 77.830, 89.710, 68.410 |
Unit cell angles | 90.00, 97.76, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.140 |
R-factor | 0.155 * |
R-free | 0.15900 |
Starting model (for MR) | 1pgt |
RMSD bond length | 0.005 |
RMSD bond angle | 0.020 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | SHELXL |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.180 |
High resolution limit [Å] | 2.140 | 2.140 |
Rmerge | 0.052 | 0.129 |
Number of reflections | 23834 | |
<I/σ(I)> | 23.93 | 7.71 |
Completeness [%] | 92.7 | 83.2 |
Redundancy | 8.61 * | 1.92 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 6.5 | pH 6.5 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 4.3 (mM) | |
2 | 1 | drop | MES | 50 (mM) | |
3 | 1 | drop | GSBpd | 0.5 (mM) | |
4 | 1 | drop | cobalt hexammine chloride | 5 (mM) | |
5 | 1 | drop | ammonium sulfate | 0.9 (M) | |
6 | 1 | reservoir | ammonium sulfate | 1.8 (M) | |
7 | 1 | reservoir | cobaltic hexamine chloride | 10 (mM) | |
8 | 1 | reservoir | MES | 0.1 (M) |