6QRJ
Crystal structure of ShkA full-length in complex with AMPPNP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00004 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 64.504, 64.504, 260.209 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.650 |
| R-factor | 0.2196 |
| Rwork | 0.217 |
| R-free | 0.27470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4q20 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.925 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 2.800 |
| High resolution limit [Å] | 2.640 | 7.810 | 2.640 |
| Rmerge | 0.010 | 0.030 | 0.010 |
| Rmeas | 0.033 | ||
| Rpim | 0.030 | 0.030 | |
| Number of reflections | 17058 | 1220 | 5022 |
| <I/σ(I)> | 17 | 49.25 | 0.86 |
| Completeness [%] | 99.0 | 99.3 | 99.2 |
| Redundancy | 12.7 | 6.284 | 7.027 |
| CC(1/2) | 1.000 | 1.000 | 0.482 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.2 M DL-Serine, 0.1M Sodium HEPES pH 7.5, MOPS (acid), 40% v/v ethylene glycol and 20% w/v PEG 8000 |
