4OPW
Crystal structure of a putative adhesin (PARMER_02777) from Parabacteroides merdae ATCC 43184 at 1.75 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-11-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91837,0.97949,0.97885 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.860, 70.850, 118.830 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.529 - 1.750 |
R-factor | 0.1723 |
Rwork | 0.171 |
R-free | 0.19820 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.170 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.529 | 29.529 | 1.810 |
High resolution limit [Å] | 1.750 | 3.760 | 1.750 |
Rmerge | 0.054 | 0.029 | 0.586 |
Number of reflections | 50547 | 9526 | 8908 |
<I/σ(I)> | 11.73 | 30.4 | 2 |
Completeness [%] | 96.6 | 95.6 | 94.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.20M potassium chloride, 20.00% polyethylene glycol 3350, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |