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 |