4CPB
CRYSTAL STRUCTURE OF LECA IN COMPLEX WITH A DIVALENT GALACTOSIDE AT 1. 57 ANGSTROM IN MAGNESIUM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-02-03 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.666, 65.393, 159.869 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.970 - 1.570 |
| R-factor | 0.16471 |
| Rwork | 0.163 |
| R-free | 0.19138 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oko |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.763 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.970 | 1.600 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmerge | 0.070 | 0.380 |
| Number of reflections | 75110 | |
| <I/σ(I)> | 19.2 | 2.9 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 7.6 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | SOLUTION 15 OF THE CSSI SCREEN 10 % PEG 8K, 10% PEG 1K, 100 MM TRIS 8.5 AND 200 MM MGCL2 |
