6N7M
1.78 Angstrom Resolution Crystal Structure of Hypothetical Protein CD630_05490 from Clostridioides difficile 630.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-04-20 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 26.620, 58.688, 77.329 |
Unit cell angles | 90.00, 94.47, 90.00 |
Refinement procedure
Resolution | 24.520 - 1.780 |
R-factor | 0.24828 |
Rwork | 0.246 |
R-free | 0.28386 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.456 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.700 | 1.810 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmerge | 0.102 | 0.830 |
Rmeas | 0.113 | 0.950 |
Rpim | 0.048 | 0.450 |
Number of reflections | 22345 | 1068 |
<I/σ(I)> | 11.1 | 2.1 |
Completeness [%] | 97.7 | 97.89 |
Redundancy | 5.2 | 4.1 |
CC(1/2) | 0.990 | 0.610 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 292 | Protein: 9.3 mg/ml, 0.01M Tris HCl (pH 8.3); Screen: Classics II (H11), 0.1M Potassium thiocyanate, 30% (w/v) PEG 2000 MME. |