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) |
