4XYK
Crystal structure of human phosphofructokinase-1 in complex with ADP, Northeast Structural Genomics Consortium Target HR9275
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-04 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.990 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.345, 168.373, 133.272 |
| Unit cell angles | 90.00, 103.78, 90.00 |
Refinement procedure
| Resolution | 45.370 - 3.400 |
| R-factor | 0.256 |
| Rwork | 0.256 |
| R-free | 0.29000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xyj |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.370 | 3.520 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.156 | 0.534 |
| Number of reflections | 39473 | |
| <I/σ(I)> | 3.7 | 1.2 |
| Completeness [%] | 84.8 | 74.3 |
| Redundancy | 2.1 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.4 | 293 | 200 mM potassium sodium tartrate tetrahydrate, pH 7.4, and 20% (w/v) PEG 3350. |
