7DWC
Bacteroides thetaiotaomicron VPI5482 BTAxe1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-09-11 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97852 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.796, 82.580, 81.534 |
Unit cell angles | 90.00, 110.17, 90.00 |
Refinement procedure
Resolution | 28.067 - 1.804 |
R-factor | 0.1761 |
Rwork | 0.174 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6a6o |
RMSD bond length | 0.007 |
RMSD bond angle | 0.891 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
High resolution limit [Å] | 1.800 | 5.160 | 1.900 |
Rmerge | 0.100 | 0.062 | 0.574 |
Rmeas | 0.109 | 0.068 | 0.630 |
Rpim | 0.043 | 0.028 | 0.255 |
Number of reflections | 83576 | 3667 | 3579 |
<I/σ(I)> | 5.6 | ||
Completeness [%] | 99.9 | 99.2 | 99.6 |
Redundancy | 6.3 | 6 | 5.7 |
CC(1/2) | 0.997 | 0.884 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 20% PEG 3350, 0.1M NaCl, 0.1M Tris pH 7.5 |