6PHX
SpAga D472N structure in complex with raffinose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-002 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-25 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.5419 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 91.027, 127.452, 151.955 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.770 - 2.000 |
| R-factor | 0.1928 |
| Rwork | 0.191 |
| R-free | 0.23170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4phu |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.343 |
| 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] | 30.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.079 | 0.289 |
| Rpim | 0.036 | 0.195 |
| Number of reflections | 59279 | 4303 |
| <I/σ(I)> | 17 | 3 |
| Completeness [%] | 99.0 | 98.6 |
| Redundancy | 4.6 | 2.6 |
| CC(1/2) | 0.996 | 0.926 |
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 |
