5K7F
Crystal structure of apo AibR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-08-27 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.0003 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.664, 95.225, 62.051 |
Unit cell angles | 90.00, 105.55, 90.00 |
Refinement procedure
Resolution | 38.210 - 1.700 |
R-factor | 0.208 |
Rwork | 0.206 |
R-free | 0.24230 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.022 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.11) |
Phasing software | SHELXCD |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.210 | 38.210 | 1.730 |
High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
Rmerge | 0.140 | 0.052 | 0.712 |
Number of reflections | 48521 | ||
<I/σ(I)> | 11.3 | ||
Completeness [%] | 99.4 | 99.2 | 99.6 |
Redundancy | 6.3 | 6.6 | 6.3 |
CC(1/2) | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Tris-HCL pH 7.4, 0.2 M ammonium acetate, 20 % PEG 3350 |