4I4U
BEL beta-trefoil complex with galactose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-22 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.00000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.400, 70.010, 71.630 |
Unit cell angles | 90.00, 106.57, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.570 |
R-factor | 0.20047 |
Rwork | 0.199 |
R-free | 0.22390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4i4p |
RMSD bond length | 0.006 |
RMSD bond angle | 1.151 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.600 | 1.660 |
High resolution limit [Å] | 1.570 | 1.570 |
Rmerge | 0.067 | 0.277 |
Number of reflections | 83522 | |
<I/σ(I)> | 11.4 | 4.1 |
Completeness [%] | 95.8 | 87.8 |
Redundancy | 3.6 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1 M Tris-HCl, 0.2 M magnesium chloride, 25% PEG4000, 0.2 M 1-butyl-3-methylimidazolium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |