4LS3
THE crystal STRUCTURE OF HELICOBACTER PYLORI CEUE(HP1561)/NI-HIS COMPL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.952 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 71.420, 60.650, 77.130 |
| Unit cell angles | 90.00, 91.02, 90.00 |
Refinement procedure
| Resolution | 30.325 - 1.700 |
| R-factor | 0.1695 |
| Rwork | 0.168 |
| R-free | 0.20410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3UI8 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.041 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.330 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.074 | 0.470 |
| Number of reflections | 70159 | |
| <I/σ(I)> | 11.4 | 2.6 |
| Completeness [%] | 96.8 | 94.8 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.2 M LiCl, 0.1 M Tris-HCl, 30% PEG 4000., pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
