5U4O
A 2.05A X-Ray Structureof A Bacterial Extracellular Solute-binding Protein, family 5 for Bacillus anthracis str. Ames
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-04-14 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 101.700, 101.700, 220.420 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 88.070 - 2.050 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.19800 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.070 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.118 | 1.523 |
| Number of reflections | 43090 | |
| <I/σ(I)> | 14.4 | 1.9 |
| Completeness [%] | 99.9 | 99.2 |
| Redundancy | 8.4 | 8.3 |
| CC(1/2) | 0.999 | 0.676 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 2M NH4 Citrate pH 7.0, 0.1M B-T-Propane pH 7, 1mM MgSulphate |
