5DOL
Crystal structure of YabA amino-terminal domain from Bacillus subtilis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-12-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.93222 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 83.480, 83.480, 64.710 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.100 - 2.700 |
R-factor | 0.227 |
Rwork | 0.222 |
R-free | 0.27010 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 0.616 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.100 | 41.516 | 2.800 |
High resolution limit [Å] | 2.700 | 10.000 | 2.700 |
Rmerge | 0.073 | 0.025 | 2.626 |
Rmeas | 0.079 | 0.029 | 2.832 |
Rpim | 0.036 | 0.018 | 0.309 |
Total number of observations | 51889 | 1428 | 6834 |
Number of reflections | 7306 | 84 | 752 |
<I/σ(I)> | 17.98 | 42.5 | 2.6 |
Completeness [%] | 98.5 | 47.7 | 99.9 |
Redundancy | 21.2 | 15.2 | 23 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 20% PEG 3350 (W/V), 100 mM Bis-Tris propane pH 6.5, 200 mM potassium thiocyanate |