5EC2
KcsA with V76ester+G77dA mutations
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 | 2014-10-31 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.0 |
Spacegroup name | I 4 |
Unit cell lengths | 154.870, 154.870, 75.703 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.503 - 2.300 |
R-factor | 0.233 |
Rwork | 0.230 |
R-free | 0.25910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k4c |
RMSD bond length | 0.002 |
RMSD bond angle | 0.515 |
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] | 54.755 | 54.755 | 2.420 |
High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
Rmerge | 0.098 | 0.033 | 1.479 |
Rmeas | 0.105 | ||
Rpim | 0.039 | 0.013 | 0.612 |
Total number of observations | 291481 | 9341 | 39508 |
Number of reflections | 39959 | ||
<I/σ(I)> | 12.4 | 41.6 | 1.2 |
Completeness [%] | 100.0 | 98.7 | 100 |
Redundancy | 7.3 | 7.1 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG400 |