1C8V
CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXYPHENYLTHIO)-BUTYLPHOSPHONIC ACID
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 140 |
Detector technology | IMAGE PLATE |
Collection date | 1997-06-27 |
Detector | RIGAKU RAXIS IIC |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 183.800, 60.770, 68.150 |
Unit cell angles | 90.00, 94.38, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.200 |
R-factor | 0.212 |
Rwork | 0.208 |
R-free | 0.26800 |
RMSD bond length | 0.010 |
RMSD bond angle | 24.640 * |
Data reduction software | DENZO |
Data scaling software | CCP4 ((TRUNCATE)) |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.200 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.077 | 0.241 |
Number of reflections | 35708 | |
<I/σ(I)> | 10.35 | |
Completeness [%] | 93.5 | 79 |
Redundancy | 3.3 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7.8 | 295 | pH was adjusted with NaOH * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 5-10 (mg/ml) | |
2 | 1 | drop | inhibitor | 1 (mM) | |
3 | 1 | reservoir | Bicine | 50 (mM) | |
4 | 1 | reservoir | NaEDTA | 1 (mM) | |
5 | 1 | reservoir | spermine | 0.8-1.5 (mM) | |
6 | 1 | reservoir | PEG4000 | 12 (%) |