6PHW
SpAga D472N structure in complex with melibiose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-002 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-29 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.5419 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 90.909, 127.193, 151.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.750 - 2.200 |
| R-factor | 0.1762 |
| Rwork | 0.173 |
| R-free | 0.22740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4phu |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.404 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.134 | 0.346 |
| Rpim | 0.069 | 0.184 |
| Number of reflections | 44415 | 3732 |
| <I/σ(I)> | 10.6 | 3.5 |
| Completeness [%] | 99.4 | 99.8 |
| Redundancy | 4.5 | 4.2 |
| CC(1/2) | 0.991 | 0.881 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | 0.1 M sodium acetate:acetic acid, 0.7-1.0 M ammonium tartrate dibasic |
