5NWP
Crystal Structure of the Lectin Domain From the F17-like Adhesin, UclD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-01-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.008 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 30.089, 91.871, 64.932 |
Unit cell angles | 90.00, 96.46, 90.00 |
Refinement procedure
Resolution | 91.870 - 1.050 |
R-factor | 0.11839 |
Rwork | 0.117 |
R-free | 0.14252 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Se-SAD model |
RMSD bond length | 0.027 |
RMSD bond angle | 2.232 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | SHELXD |
Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 91.870 | 37.430 | 1.110 |
High resolution limit [Å] | 1.050 | 3.320 | 1.050 |
Rmerge | 0.079 | 0.054 | 0.336 |
Rpim | 0.034 | 0.022 | 0.308 |
Number of reflections | 144393 | 5234 | 10354 |
<I/σ(I)> | 11.9 | 31.1 | 2.1 |
Completeness [%] | 88.8 | 99.9 | 43.8 |
Redundancy | 5 | 7.2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 16% PEG 4000, 0.1M Tris HCl pH 8.5, 0.2M MgCl2 |