4NWS
Crystal structure of PSLssmKate, a photoswitchable LSSmKate variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | I 4 |
| Unit cell lengths | 99.032, 99.032, 106.614 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.280 - 2.700 |
| R-factor | 0.1821 |
| Rwork | 0.179 |
| R-free | 0.25320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nt9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.433 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 7.320 | 2.700 |
| Rmerge | 0.078 | 0.037 | 0.336 |
| Number of reflections | 12943 | ||
| <I/σ(I)> | 10.2 | ||
| Completeness [%] | 91.5 | 100 | 34.8 |
| Redundancy | 5.2 | 5.7 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 298 | 0.1M citric acid, pH 3.5, 25% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
