5HS9
Crystal structure of the quinone-bound YodB from B. subtilis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.941, 51.178, 48.391 |
Unit cell angles | 90.00, 93.46, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.100 |
R-factor | 0.24591 |
Rwork | 0.244 |
R-free | 0.27620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hs7 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.481 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.070 | 0.629 |
Number of reflections | 10779 | |
<I/σ(I)> | 36.9 | |
Completeness [%] | 96.0 | |
Redundancy | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.2 M sodium citrate tribasic dihydrate and 30% (w/v) PEG 3,350 |