1E19
Structure of the carbamate kinase-like carbamoyl phosphate synthetase from the hyperthermophilic archaeon Pyrococcus furiosus bound to ADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF |
Synchrotron site | ESRF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1998-09-15 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.400, 91.700, 133.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.500 |
R-factor | 0.183 * |
Rwork | 0.183 |
R-free | 0.21800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1b7b |
RMSD bond length | 0.020 |
RMSD bond angle | 9.900 * |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 76.670 | 1.590 |
High resolution limit [Å] | 1.430 | 1.500 |
Rmerge | 0.067 | 0.355 |
Total number of observations | 448640 * | |
Number of reflections | 116569 | |
<I/σ(I)> | 5.2 | 1.9 |
Completeness [%] | 97.3 | 98.6 |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8.5 * | 22 * | 1.3M SODIUM CITRATE 0.1M TRIS-HCL, PH=8.5, 0-10% ETHYLENE GLYCOL PROTEIN SOLUTION: 10MG/ML OF PROTEIN IN 10MM TRIS-HCL CONTAINING 20MM ATP AND MGCL2, pH 8.00 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | Tris-HCl | 50 (mM) | |
2 | 1 | drop | ATP | 20 (mM) | |
3 | 1 | drop | 20 (mM) | ||
4 | 1 | reservoir | sodium citrate | 1.3 (M) | |
5 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.5 |