4Y25
Bacterial polysaccharide outer membrane secretin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 143.972, 143.972, 90.560 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.448 - 2.821 |
R-factor | 0.2372 |
Rwork | 0.232 |
R-free | 0.28310 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 0.933 |
Phasing software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.920 |
High resolution limit [Å] | 2.800 | 2.820 |
Number of reflections | 13051 | |
<I/σ(I)> | 28.9 | 1.9 |
Completeness [%] | 94.4 | 91.8 |
Redundancy | 10.9 | 10.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 289 | 0.1M NaOAc, pH 4.5, 31% MPD, 0.4M NaCl, 0.3M NDSB-195 |