3CQD
Structure of the tetrameric inhibited form of phosphofructokinase-2 from Escherichia coli
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 | CCD |
Collection date | 2006-03-30 |
Detector | MAR CCD 130 mm |
Wavelength(s) | 1.438 |
Spacegroup name | P 2 2 21 |
Unit cell lengths | 42.822, 86.834, 171.308 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.940 - 1.980 |
R-factor | 0.18881 |
Rwork | 0.186 |
R-free | 0.23377 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2abq |
RMSD bond length | 0.011 |
RMSD bond angle | 1.483 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.090 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.075 | 0.302 |
Number of reflections | 43478 | |
<I/σ(I)> | 18.6 | 4.3 |
Completeness [%] | 93.8 | 90.1 |
Redundancy | 5.8 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 293 | 0.1 M sodium acetate, 12% PEG 6000, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K |