7T86
Crystal Structure of Fab CR5133 / Phospho-SD Peptide Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-01-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 81.981, 82.862, 90.652 |
| Unit cell angles | 70.89, 84.41, 62.10 |
Refinement procedure
| Resolution | 68.320 - 1.900 |
| R-factor | 0.1962 |
| Rwork | 0.196 |
| R-free | 0.22210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4tw1 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.871 |
| Data reduction software | DENZO |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8-3855) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 85.463 | 85.463 | 1.905 |
| High resolution limit [Å] | 1.898 | 8.808 | 1.898 |
| Rmerge | 0.033 | 0.049 | 0.325 |
| Rmeas | 0.047 | 0.069 | 0.460 |
| Rpim | 0.033 | 0.049 | 0.325 |
| Total number of observations | 274016 | 2818 | 2672 |
| Number of reflections | 150662 | 1558 | 1459 |
| <I/σ(I)> | 7.4 | 11.9 | 2.1 |
| Completeness [%] | 95.9 | 98.3 | 91 |
| Redundancy | 1.8 | 1.8 | 1.8 |
| CC(1/2) | 0.984 | 0.891 | 0.824 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 298 | 0.1 M MES, 12.9% PEG 10000, 5%dioxane, 0.1 M beta-NADH |
