5XZ6
Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with adenylylimidodiphosphate, the ATP analogue
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-12-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9793 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 89.410, 37.010, 101.135 |
Unit cell angles | 90.00, 103.36, 90.00 |
Refinement procedure
Resolution | 50.010 - 2.700 |
R-factor | 0.22647 |
Rwork | 0.220 |
R-free | 0.28804 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.668 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.010 | 2.850 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.106 | 0.450 |
Number of reflections | 9040 | 486 |
<I/σ(I)> | 10.3 | 4.2 |
Completeness [%] | 98.1 | 97.8 |
Redundancy | 3.9 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 283 | 15% PEG 6000, 0.1M Sodium citrate PH 5.5 |