4S3I
Crystal structure of beta clamp from Helicobacter pylori
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 | 2014-07-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 82.502, 65.474, 88.900 |
| Unit cell angles | 90.00, 116.03, 90.00 |
Refinement procedure
| Resolution | 30.082 - 1.946 |
| R-factor | 0.2161 |
| Rwork | 0.214 |
| R-free | 0.25040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rki |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.114 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.886 | 1.980 |
| High resolution limit [Å] | 1.946 | 1.946 |
| Number of reflections | 60925 | |
| <I/σ(I)> | 38.35 | 2.88 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.2 | 9.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 289 | 6% PEG20000, 20% PEG550 MME, 0.1 M HEPES+MOPS, pH 7.3, 0.2 M ammonium citrate dibasic, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
