4MHO
Crystal structure of Gpb in complex with S3, SUGAR (N-[(BIPHENYL-4-YLOXY)ACETYL]-BETA-D-GLUCOPYRANOSYLAMINE)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-2 |
Synchrotron site | MAX II |
Beamline | I911-2 |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2013-02-18 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.04027 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 128.910, 128.910, 116.890 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.600 - 2.000 |
R-factor | 0.1642 |
Rwork | 0.162 |
R-free | 0.19959 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3sym |
RMSD bond length | 0.009 |
RMSD bond angle | 1.250 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.940 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 52566 | |
<I/σ(I)> | 7.6 | 2.7 |
Completeness [%] | 79.7 | 83.1 |
Redundancy | 2 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SMALL TUBES | 6.7 | 289 | 10mM BES buffer, pH 6.7, SMALL TUBES, temperature 289K |