7UJ2
OspC Type B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.931, 44.085, 68.806 |
Unit cell angles | 90.00, 103.83, 90.00 |
Refinement procedure
Resolution | 36.797 - 1.503 |
R-factor | 0.1475 |
Rwork | 0.146 |
R-free | 0.16720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ggq |
RMSD bond length | 0.012 |
RMSD bond angle | 1.143 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.530 |
High resolution limit [Å] | 1.500 | 4.070 | 1.500 |
Rmerge | 0.059 | 0.039 | 0.325 |
Rmeas | 0.065 | 0.043 | 0.366 |
Rpim | 0.028 | 0.018 | 0.164 |
Total number of observations | 197208 | ||
Number of reflections | 38181 | 2027 | 1922 |
<I/σ(I)> | 9.1 | ||
Completeness [%] | 95.8 | 97.5 | 95.6 |
Redundancy | 5.2 | 5.7 | 4.6 |
CC(1/2) | 0.998 | 0.932 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 295 | 100 mM sodium phosphate citrate pH 4.2, 41.9% PEG 600 |