3IFX
Crystal structure of the Spin-labeled KcsA mutant V48R1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-15 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.033 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 130.970, 76.630, 112.970 |
Unit cell angles | 90.00, 125.83, 90.00 |
Refinement procedure
Resolution | 24.840 - 3.560 |
R-factor | 0.27267 |
Rwork | 0.271 |
R-free | 0.30218 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bl8 |
RMSD bond length | 0.055 |
RMSD bond angle | 1.779 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0051) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.650 |
High resolution limit [Å] | 3.560 | 3.560 |
Rmerge | 0.086 | 0.042 |
Number of reflections | 7898 | |
<I/σ(I)> | 4 | 1.7 |
Completeness [%] | 99.4 | 99.4 |
Redundancy | 3.5 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 200 mM CaCl2, 150 mM KCl, 100 mM HEPES, 19-49% PEG 400, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |