5LJ7
Structure of Aggregatibacter actinomycetemcomitans MacB bound to ATP (P21)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-11-22 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 112.328, 82.610, 125.170 |
Unit cell angles | 90.00, 93.54, 90.00 |
Refinement procedure
Resolution | 86.126 - 3.250 |
R-factor | 0.2488 |
Rwork | 0.246 |
R-free | 0.29940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5lil |
RMSD bond length | 0.003 |
RMSD bond angle | 0.577 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_2196: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 86.130 | |
High resolution limit [Å] | 3.250 | 3.250 |
Number of reflections | 70100 | |
<I/σ(I)> | 6.7 | |
Completeness [%] | 99.4 | |
Redundancy | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 288 | PEG 400, Sodium Citrate, Magnesium Chloride, ATPyS, Dodecylmaltopyranoside |