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 |