4XKU
E coli BFR variant Y114F
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-07-09 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9800 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 207.560, 207.560, 142.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 102.271 - 1.780 |
R-factor | 0.1894 |
Rwork | 0.188 |
R-free | 0.21690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2y3q |
RMSD bond length | 0.006 |
RMSD bond angle | 0.921 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHENIX ((phenix.phaser-MR: 1.8.2_1309)) |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 102.271 | 1.830 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmerge | 0.093 | 0.665 |
Number of reflections | 287797 | |
<I/σ(I)> | 12.6 | 2.5 |
Completeness [%] | 96.5 | 98.5 |
Redundancy | 6.8 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 289 | 1.6M ammonium sulfate 0.1M sodium citrate |