4MHS
Crystal structure of Gpb in complex with SUGAR (N-[(2E)-3-(BIPHENYL-4-YL)PROP-2-ENOYL]-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 | 2013-02-19 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.04 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 128.870, 128.870, 116.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.150 - 2.000 |
| R-factor | 0.16663 |
| Rwork | 0.165 |
| R-free | 0.18865 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3sym |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.230 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.830 | 2.100 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Number of reflections | 63559 | |
| <I/σ(I)> | 6.2 | 2.2 |
| Completeness [%] | 94.2 | 71.3 |
| Redundancy | 2.7 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SMALL TUBES | 6.7 | 289 | 10mM BES buffer, pH 6.7, SMALL TUBES, temperature 289K |
