5LJ6
Structure of Aggregatibacter actinomycetemcomitans MacB bound to ATPyS (P6522)
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 PILATUS 6M |
Wavelength(s) | 0.97943 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 119.570, 119.570, 307.779 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 59.785 - 3.900 |
R-factor | 0.2699 |
Rwork | 0.268 |
R-free | 0.32220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Higher resolution MacB structure in space group P21 |
RMSD bond length | 0.004 |
RMSD bond angle | 1.025 |
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] | 61.560 | |
High resolution limit [Å] | 3.900 | 3.900 |
Number of reflections | 21959 | |
<I/σ(I)> | 10.3 | |
Completeness [%] | 97.9 | |
Redundancy | 13.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 288 | PEG 400, Sodium Citrate, Magnesium Chloride, ATPyS, Dodecylmaltopyranoside |