6RVU
Crystal structure of the Burkholderia Lethal Factor 1 (BLF1)
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 | 2017-12-17 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.259, 44.586, 116.872 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.690 - 0.990 |
| R-factor | 0.1262 |
| Rwork | 0.125 |
| R-free | 0.14700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tu8 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.799 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.580 | 44.580 | 1.020 |
| High resolution limit [Å] | 0.990 | 4.330 | 0.990 |
| Rmerge | 0.078 | 0.075 | 0.279 |
| Rmeas | 0.084 | 0.081 | 0.372 |
| Rpim | 0.032 | 0.031 | 0.242 |
| Total number of observations | 548111 | 9936 | 2100 |
| Number of reflections | 93887 | 1497 | 1556 |
| <I/σ(I)> | 12.6 | 22.6 | 1.6 |
| Completeness [%] | 86.7 | 100 | 18.6 |
| Redundancy | 5.8 | 6.6 | 1.3 |
| CC(1/2) | 0.996 | 0.993 | 0.793 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | 0.2 M potassium thiocyanate, 20 % (w/v) PEG 3350 |
