5D2R
Inhibitor Bound Cell Shape Determinant Protein Csd4 from Helicobacter pylori
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-09-25 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9796 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.840, 66.610, 144.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.028 - 1.900 |
| R-factor | 0.1824 |
| Rwork | 0.180 |
| R-free | 0.21940 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4wck |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.203 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.030 | 1.950 | |
| High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
| Rmerge | 0.092 | 0.031 | 0.834 |
| Rmeas | 0.099 | 0.034 | 0.898 |
| Total number of observations | 297447 | ||
| Number of reflections | 41021 | 529 | 2977 |
| <I/σ(I)> | 15.24 | 42.19 | 2.58 |
| Completeness [%] | 100.0 | 98.5 | 100 |
| Redundancy | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 13-18% PEG 3350, 0.015 mM Tris pH 8 and 0.4 M NaI |
