4XKS
E. coli BFR variant Y45F
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-02-23 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 127.270, 196.010, 201.870 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 106.743 - 1.570 |
| R-factor | 0.15 |
| Rwork | 0.149 |
| R-free | 0.17170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2y3q |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.922 |
| 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] | 106.743 | 1.610 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmerge | 0.127 | 0.560 |
| Number of reflections | 342080 | |
| <I/σ(I)> | 15.6 | 2.5 |
| Completeness [%] | 98.4 | 85.6 |
| Redundancy | 9.7 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 289 | 1.6M Ammonium Sulfate, 0.1M sodium citrate |
