1QB4
CRYSTAL STRUCTURE OF MN(2+)-BOUND PHOSPHOENOLPYRUVATE CARBOXYLASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-18B |
| Synchrotron site | Photon Factory |
| Beamline | BL-18B |
| Temperature [K] | 293 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1998-12-06 |
| Detector | WEISSENBERG |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 117.750, 248.410, 83.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.600 |
| R-factor | 0.221 |
| Rwork | 0.223 |
| R-free | 0.26100 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.800 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.066 | 0.249 |
| Total number of observations | 157727 * | |
| Number of reflections | 34597 * | |
| <I/σ(I)> | 10.6 | |
| Completeness [%] | 90.7 * | 83.6 |
| Redundancy | 4.56 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | PEG 300, MANGANESE SULPHATE, SUCROSE., pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 10 | 1 | reservoir | 90 (mM) | ||
| 11 | 1 | reservoir | dithiothreitol | 0.25 (mM) | |
| 12 | 1 | reservoir | PEG300 | 15 (%(w/v)) | |
| 2 | 1 | drop | Tris-HCl | 50 (mM) | pH7.4 |
| 3 | 1 | drop | Na-L-Asp | 6 (mM) | |
| 4 | 1 | drop | 45 (mM) | ||
| 5 | 1 | drop | dithiothreitol | 0.6 (mM) | |
| 6 | 1 | drop | sucrose | 0.6 (M) | |
| 7 | 1 | drop | 20 (mM) | ||
| 8 | 1 | drop | PEG300 | 10 (%(w/v)) | |
| 9 | 1 | reservoir | Na-L-Asp | 2.5 (mM) |
