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 |