5BQ5
Crystal structure of the IstB AAA+ domain bound to ADP-BeF3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97955 |
Spacegroup name | P 61 |
Unit cell lengths | 133.806, 133.806, 70.950 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.798 - 2.100 |
R-factor | 0.1832 |
Rwork | 0.182 |
R-free | 0.20340 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 0.789 |
Data scaling software | SCALA (3.3.21) |
Phasing software | PHASER |
Refinement software | PHENIX (1.9-1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.798 | 48.675 | 2.210 |
High resolution limit [Å] | 2.100 | 6.640 | 2.100 |
Rmerge | 0.027 | 1.605 | |
Rmeas | 0.173 | ||
Rpim | 0.044 | 0.013 | 0.435 |
Total number of observations | 648053 | 20783 | 94171 |
Number of reflections | 42394 | ||
<I/σ(I)> | 18.9 | 76.7 | 1.9 |
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 15.3 | 14.8 | 15.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 100 mM BIS-TRIS propane pH 6.5, 300 mM ammonium sulfate and 18.5% PEG 3350 |