4MIC
Crystal structure of Gpb in complex with SUGAR (N-{(2E)-3-[4-(PROPAN-2-YL)PHENYL]PROP-2-ENOYL}-BETA-D-GLUCOPYRANOSYLAMINE) (S6)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2013-02-22 |
| Detector | AGILENT ATLAS CCD |
| Wavelength(s) | 1.5419 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 128.740, 128.740, 116.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.140 - 2.450 |
| R-factor | 0.18899 |
| Rwork | 0.187 |
| R-free | 0.23354 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3sym |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.981 |
| Data reduction software | CrysalisPro |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.230 | 2.580 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Number of reflections | 33056 | |
| <I/σ(I)> | 6.3 | 1.8 |
| Completeness [%] | 91.4 | 95.6 |
| Redundancy | 2.2 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SMALL TUBES | 6.7 | 289 | 10 mM BES buffer, pH 6.7, SMALL TUBES, temperature 289K |
