3FYG
CRYSTAL STRUCTURE OF TETRADECA-(3-FLUOROTYROSYL)-GLUTATHIONE S-TRANSFERASE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 103 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-10-01 |
| Detector | RIGAKU |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 85.430, 88.420, 57.260 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.200 |
| R-factor | 0.17 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3GST: CLASS MU GST |
| RMSD bond length | 0.015 |
| RMSD bond angle | 20.000 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | TNT (5E) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.083 * | |
| Total number of observations | 243942 * | |
| Number of reflections | 22702 | |
| <I/σ(I)> | 9.5 | 4 |
| Completeness [%] | 99.9 | 80 |
| Redundancy | 10.75 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.8 | 22 * | pH 6.8 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | product | 2 (mM) | |
| 3 | 1 | drop | n-octyl beta-D-glucopyranoside | 0.3 (%) | |
| 4 | 1 | drop | PEG3000 | 10 (%) | |
| 5 | 1 | drop | 1 (M) | ||
| 6 | 1 | reservoir | PEG3000 | 22-26 (%) | |
| 7 | 1 | reservoir | 1 (M) | ||
| 8 | 1 | reservoir | MOPS | 50 (mM) |
