1OS1
Structure of Phosphoenolpyruvate Carboxykinase complexed with ATP,Mg, Ca and pyruvate.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-18B |
Synchrotron site | Photon Factory |
Beamline | BL-18B |
Detector technology | IMAGE PLATE |
Collection date | 1998-12-14 |
Detector | FUJI |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 126.200, 95.200, 46.800 |
Unit cell angles | 90.00, 95.20, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.800 |
R-factor | 0.204 |
Rwork | 0.200 |
R-free | 0.22000 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1aql |
RMSD bond length | 0.005 * |
RMSD bond angle | 1.260 * |
Data reduction software | DENZO |
Data scaling software | CCP4 ((TRUNCATE)) |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.000 * | |
High resolution limit [Å] | 1.800 | 1.800 * |
Rmerge | 0.037 * | 0.450 * |
Number of reflections | 41488 | |
Completeness [%] | 78.3 | 69.4 * |
Redundancy | 2.84 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 21 * | ADP, Calcium Chloride, Magnesium Chloride, PEP, EDTA, ammonium acetate, sodium acetate buffer, dithiothreitol, PEG 4000, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 6 (mg/ml) | |
10 | 1 | drop | PEG4000 | 10 (%(w/v)) | |
11 | 1 | reservoir | sodium acetate | 100 (mM) | pH4.8 |
12 | 1 | reservoir | ammonium acetate | 200 (mM) | |
13 | 1 | reservoir | PEG4000 | 24 (%(w/v)) | |
2 | 1 | drop | 5 (ml) | ||
3 | 1 | drop | 5 (mM) | ||
4 | 1 | drop | ADP | 2 (mM) | |
5 | 1 | drop | PEP | 2 (mM) | |
6 | 1 | drop | EDTA | 1 (mM) | |
7 | 1 | drop | ammonium acetate | 200 (mM) | |
8 | 1 | drop | sodium acetate | 100 (mM) | pH4.8 |
9 | 1 | drop | dithiothreitol | 0.1 (mM) |