4Z3G
Crystal structure of the lectin domain of PapG from E. coli BI47 in complex with 4-methoxyphenyl beta-D-galabiose in space group P212121
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-08-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97618 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.270, 72.610, 94.860 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.660 - 1.450 |
R-factor | 0.1698 |
Rwork | 0.169 |
R-free | 0.18870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j8s |
RMSD bond length | 0.008 |
RMSD bond angle | 1.030 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.660 | 1.500 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.058 | 0.910 |
Number of reflections | 69025 | |
<I/σ(I)> | 21.2 | 1.3 |
Completeness [%] | 99.2 | 92.6 |
Redundancy | 11.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 297 | 10 % PEG 10000 |