1II2
Crystal Structure of Phosphoenolpyruvate Carboxykinase (PEPCK) from Trypanosoma cruzi
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-02-08 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.535 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.977, 107.615, 179.081 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.670 - 2.000 |
| R-factor | 0.195 |
| Rwork | 0.195 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aq2 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.060 |
| High resolution limit [Å] | 2.000 | 1.990 |
| Rmerge | 0.053 * | 0.337 * |
| Number of reflections | 87770 | |
| <I/σ(I)> | 23.4 | |
| Completeness [%] | 99.4 | 99.2 |
| Redundancy | 5.4 | 4.9 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.7 * | 18 * | Ammonium sulphate, sodium chloride, HEPES, potassium dihydrogen phosphate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7.7 (mg/ml) | |
| 2 | 1 | drop | sodium potassium phosphate | 20 (mM) | pH6.7 |
| 3 | 1 | drop | 1.0 (M) | ||
| 4 | 1 | reservoir | ammonium sulfate | 2.4 (M) | pH7.0 |
| 5 | 1 | reservoir | HEPES | 0.1 (M) |
