5EBW
KcsA with G77ester mutation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 80 |
Detector technology | CMOS |
Collection date | 2014-02-09 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.0 |
Spacegroup name | I 4 |
Unit cell lengths | 156.910, 156.910, 75.837 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.227 - 2.300 |
R-factor | 0.2249 |
Rwork | 0.222 |
R-free | 0.24910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k4c |
RMSD bond length | 0.003 |
RMSD bond angle | 0.661 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 51.505 | 51.505 | 2.230 |
High resolution limit [Å] | 2.115 | 6.690 | 2.120 |
Rmerge | 0.122 | 0.049 | 1.018 |
Rmeas | 0.132 | ||
Rpim | 0.049 | 0.020 | 0.564 |
Total number of observations | 350427 | 12750 | 20637 |
Number of reflections | 50630 | ||
<I/σ(I)> | 10.8 | 34 | 1.1 |
Completeness [%] | 96.1 | 99.6 | 73.5 |
Redundancy | 6.9 | 7.3 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG400 |