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 |
