5NP3
Abl2 SH3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-07 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 65 |
| Unit cell lengths | 44.780, 44.780, 173.910 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.781 - 2.000 |
| R-factor | 0.2024 |
| Rwork | 0.201 |
| R-free | 0.23440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1abo |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.952 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.800 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.089 | 1.050 |
| Number of reflections | 13363 | 1002 |
| <I/σ(I)> | 15.46 | 1.94 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 10.1 | 8.3 |
| CC(1/2) | 1.000 | 0.530 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1.8 M di-sodium-DL-malate |
