1J3B
Crystal structure of ATP-dependent phosphoenolpyruvate carboxykinase from Thermus thermophilus HB8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-10-02 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.702, 129.910, 173.391 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 * - 2.000 |
| R-factor | 0.208 |
| Rwork | 0.207 |
| R-free | 0.23000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oen |
| RMSD bond length | 0.010 * |
| RMSD bond angle | 1.400 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.074 | 0.713 |
| Total number of observations | 726185 * | |
| Number of reflections | 99163 | |
| <I/σ(I)> | 8 | 4.19 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.32 | 7.13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 6.3 | 291 | potassium phosphate, sodium phosphate, pH 6.3, MICROBATCH, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 13.3 (mg/ml) | |
| 2 | 1 | reservoir | potassium phosphate | 1.3 (M) | |
| 3 | 1 | reservoir | sodium phosphate | 0.91 (M) | pH6.3 |
