3ZD8
Potassium bound structure of E. coli ExoIX in P1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX14.1 |
Synchrotron site | SRS |
Beamline | PX14.1 |
Temperature [K] | 298 |
Detector technology | CCD |
Detector | ADSC QUANTUM Q4 |
Wavelength(s) | 0.870, 1.542, 1.542 |
Spacegroup name | P 1 |
Unit cell lengths | 43.370, 56.554, 60.489 |
Unit cell angles | 110.35, 95.26, 94.88 |
Refinement procedure
Resolution | 18.220 - 2.000 |
R-factor | 0.16339 |
Rwork | 0.160 |
R-free | 0.22719 |
Structure solution method | MIR |
Starting model (for MR) | NONE |
RMSD bond length | 0.016 |
RMSD bond angle | 1.522 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MLPHARE |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.050 | 0.310 |
Number of reflections | 34557 | |
<I/σ(I)> | 8.8 | 2.1 |
Completeness [%] | 92.3 | 80.9 |
Redundancy | 2.4 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 0.2 M SODIUM THIOCYANATE, 20% PEG 3350, 0.1 M MES AT PH 6.5 |