3N1C
Crystal structure of the phosphofructokinase-2 from Escherichia coli in complex with fructose-6-phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-02 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 68.793, 153.605, 223.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.450 - 2.000 |
| R-factor | 0.182 |
| Rwork | 0.180 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cqd |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.293 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | PHASER (2.1.1) |
| Refinement software | PHENIX (1.6_289) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 111.895 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.096 | 0.508 |
| Number of reflections | 79638 | |
| <I/σ(I)> | 12.6 | 1.4 |
| Completeness [%] | 99.2 | 97.1 |
| Redundancy | 4.8 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.75 | 291 | 23% PEG 4000, 0.1 M Sodium acetate pH 4.75, 0.2 M Ammonium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
