5XZ7
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 2 2 2 |
Unit cell lengths | 73.560, 80.200, 121.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.900 - 1.600 |
R-factor | 0.15514 |
Rwork | 0.154 |
R-free | 0.17881 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xoe |
RMSD bond length | 0.026 |
RMSD bond angle | 2.217 |
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] | 66.900 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.107 | 0.417 |
Number of reflections | 47521 | 6845 |
<I/σ(I)> | 11.6 | 4.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.2 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 283 | 15% PEG4000, 0.1M MES PH 6.0 , 0.15M(NH4)2SO4 |