3CSU
CATALYTIC TRIMER OF ESCHERICHIA COLI ASPARTATE TRANSCARBAMOYLASE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1998-11 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.120, 82.540, 210.520 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.880 |
R-factor | 0.189 * |
Rwork | 0.190 |
R-free | 0.29100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PBD ENTRY 8ATC |
RMSD bond length | 0.008 |
RMSD bond angle | 1.850 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | AMoRE |
Refinement software | TNT (5E) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.960 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.087 | |
Number of reflections | 80183 | |
<I/σ(I)> | 11.4 | 2.9 |
Completeness [%] | 99.6 | 99.6 |
Redundancy | 4.1 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.5 * | 4 * | pH 7.8 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | Tris-HCl | 0.1 (M) | |
2 | 1 | reservoir | 0.04 (M) | ||
3 | 1 | reservoir | PEG8000 | 7.5 (%) | |
4 | 1 | drop | protein | 6.1 (mg/ml) | |
5 | 1 | drop | Tris-HCl | 10 (mM) | |
6 | 1 | drop | 2-mercaptoethanol | 1 (mM) |