1EKX
THE ISOLATED, UNREGULATED CATALYTIC TRIMER OF ASPARTATE TRANSCARBAMOYLASE COMPLEXED WITH BISUBSTRATE ANALOG PALA (N-(PHOSPHONACETYL)-L-ASPARTATE)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-04-15 |
Detector | ADSC |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.120, 82.130, 252.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.950 |
R-factor | 0.171 |
Rwork | 0.171 |
R-free | 0.21400 |
RMSD bond length | 0.015 * |
RMSD bond angle | 1.700 * |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | TNT |
Refinement software | TNT |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.030 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.078 | 0.350 |
Total number of observations | 125472 * | |
Number of reflections | 86079 | |
<I/σ(I)> | 10.2 | |
Completeness [%] | 92.6 | 81.1 |
Redundancy | 2 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7.5 | 4 * | Calcium Acetate, PEG 8000, tris-HCL, 2-mercaptoethanol, PALA, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 6.1 (mg/ml) | |
2 | 1 | reservoir | Tris-HCl | 0.1 (M) | |
3 | 1 | reservoir | 0.02 (M) | ||
4 | 1 | reservoir | PEG8000 | 5.8 (%) | |
5 | 1 | drop | Tris-Cl | 10 (mM) | |
6 | 1 | drop | 2-mercaptoethanol | 1 (mM) | |
7 | 1 | drop | PALA | 2 (mM) |