1ML4
The PALA-liganded Aspartate transcarbamoylase catalytic subunit from Pyrococcus abyssi
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-09-24 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | H 3 |
| Unit cell lengths | 81.095, 81.095, 141.959 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.000 - 1.800 |
| R-factor | 0.176 |
| Rwork | 0.172 |
| R-free | 0.21180 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdb 1EKX |
| RMSD bond length | 0.007 |
| RMSD bond angle | 23.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.100 | 0.330 |
| Total number of observations | 70669 * | |
| Number of reflections | 29667 | |
| <I/σ(I)> | 10.69 | 3.91 |
| Completeness [%] | 92.1 | 93 |
| Redundancy | 2.38 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 * | 293 * | citric acid, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | pH8.2 |
| 3 | 1 | drop | beta-mercaptoethanol | 2 (mM) | |
| 4 | 1 | drop | 300 (mM) | ||
| 5 | 1 | reservoir | citrate | 1.4 (M) | pH6.8 |
