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) |