6EPY
Structure of the PBP MelB (Atu4661) in complex with raffinose from A.fabrum C58
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | .98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 354.300, 74.270, 108.220 |
| Unit cell angles | 90.00, 105.50, 90.00 |
Refinement procedure
| Resolution | 45.140 - 2.040 |
| R-factor | 0.175 |
| Rwork | 0.174 |
| R-free | 0.20000 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXCD |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.140 | 2.170 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Number of reflections | 333472 | |
| <I/σ(I)> | 10.84 | |
| Completeness [%] | 98.8 | 94.4 |
| Redundancy | 3.4 | |
| CC(1/2) | 0.998 | 0.801 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 25% PEG 4000, 0.6 M NaCl, 0.2 M CaCl2 and 0.1 M Mes pH 6.5 |
