5K8A
NIST FAB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-03-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97926 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 149.156, 149.203, 195.032 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.870 - 1.999 |
| R-factor | 0.1656 |
| Rwork | 0.164 |
| R-free | 0.18920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qwo |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.548 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.5.7) |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 2.030 |
| High resolution limit [Å] | 1.999 | 5.390 | 1.999 |
| Rmerge | 0.083 | 0.045 | 0.841 |
| Number of reflections | 147109 | ||
| <I/σ(I)> | 8.1 | ||
| Completeness [%] | 99.7 | 99.7 | 96.1 |
| Redundancy | 5.9 | 5.8 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 297 | 25 mg/mL ptn, 1.9 M AmSO4, 200 mM LiSO4, 100 mM Histidine |
