4MI9
Crystal structure of Gpb in complex with SUGAR (N-[(3R)-3-(4-ETHYLPHENYL)BUTANOYL]-BETA-D-GLUCOPYRANOSYLAMINE) (S20)
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 | 2013-02-21 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.04 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 128.810, 128.810, 116.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.580 - 1.850 |
| R-factor | 0.16291 |
| Rwork | 0.162 |
| R-free | 0.19018 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3sym |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.279 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.820 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 82325 | |
| <I/σ(I)> | 10.2 | 2.3 |
| Completeness [%] | 98.5 | 98.8 |
| Redundancy | 2.6 | 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 |
