4M8J
Crystal structure of CaiT R262E bound to gamma-butyrobetaine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-09-01 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.97947 |
| Spacegroup name | H 3 |
| Unit cell lengths | 129.075, 129.075, 160.717 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.884 - 3.294 |
| R-factor | 0.2369 |
| Rwork | 0.236 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wsw |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.800 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.900 | 3.550 |
| High resolution limit [Å] | 3.290 | 3.290 |
| Rmerge | 0.289 | 2.093 |
| Number of reflections | 15128 | |
| <I/σ(I)> | 5.6 | 2 |
| Completeness [%] | 99.5 | 97.9 |
| Redundancy | 5.4 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277.15 | 19% PEG400, 50 mM calcium acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K |
