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. |