7RAG
Structure of the CwlD amidase from Clostridioides difficile in complex with the GerS lipoprotein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-03-16 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9794 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 105.185, 105.185, 154.771 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.550 - 2.400 |
R-factor | 0.2076 |
Rwork | 0.203 |
R-free | 0.24900 |
Structure solution method | MIR |
Data reduction software | PROTEUM PLUS (V3) |
Data scaling software | PROTEUM PLUS (V3) |
Phasing software | SHARP (2.8.10) |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.000 | 45.500 | 2.490 |
High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
Rmerge | 0.109 | 0.048 | 2.205 |
Rmeas | 0.115 | 0.051 | 2.329 |
Rpim | 0.036 | 0.017 | 0.745 |
Number of reflections | 37392 | 3748 | 3687 |
<I/σ(I)> | 10.7 | 24.9 | 1.1 |
Completeness [%] | 99.9 | 99.6 | 98.9 |
Redundancy | 10.2 | 9.7 | |
CC(1/2) | 0.999 | 0.999 | 0.406 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 12-18 % PEG 3350, 5 % glycerol, 0.25 M ammonium nitrate, 50 mM BisTris pH 7.5. 1:1 ratio of reservoir to 30 mg/ml complex |