5K1S
crystal structure of AibC
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-05-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.2779 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.294, 77.427, 309.638 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.942 - 2.550 |
R-factor | 0.236 |
Rwork | 0.234 |
R-free | 0.26880 |
Structure solution method | SAD |
RMSD bond length | 0.002 |
RMSD bond angle | 0.437 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.25) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.360 | 48.360 | 2.620 |
High resolution limit [Å] | 2.550 | 11.400 | 2.550 |
Rmerge | 0.145 | 0.050 | 1.584 |
Rmeas | 0.152 | ||
Rpim | 0.042 | ||
Total number of observations | 800735 | ||
Number of reflections | 61786 | ||
<I/σ(I)> | 16.6 | ||
Completeness [%] | 100.0 | 98.7 | 100 |
Redundancy | 13 | 11.6 | 13.6 |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 3 M NaCl, 0.1 M HEPES pH 7.4 |