8VDK
Crystal Structure of LPXTG-motif Cell Wall Anchor Domain Protein MSCRAMM_SdrD from Staphylococcus aureus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-10-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97934 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.054, 72.825, 148.453 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.330 - 1.800 |
R-factor | 0.18 |
Rwork | 0.178 |
R-free | 0.21090 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.656 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | HKL-3000 |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.330 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.085 | 0.791 |
Rmeas | 0.092 | 0.824 |
Rpim | 0.025 | 0.228 |
Number of reflections | 44004 | 3111 |
<I/σ(I)> | 17 | 2.9 |
Completeness [%] | 99.8 | 98 |
Redundancy | 13.4 | 12.7 |
CC(1/2) | 0.999 | 0.900 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.16 M magnesium chloride, 0.08 TrisHCl pH8.5, 24 %(w/v) PEG4000, 20 % (v/v) glycerol |