3KKZ
Crystal structure of the Q5LES9_BACFN protein from Bacteroides fragilis. Northeast Structural Genomics Consortium Target BfR250.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-21 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97909 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 136.741, 58.068, 70.158 |
| Unit cell angles | 90.00, 98.27, 90.00 |
Refinement procedure
| Resolution | 34.714 - 1.677 |
| R-factor | 0.1442 |
| Rwork | 0.142 |
| R-free | 0.18600 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.055 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SnB |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.710 |
| High resolution limit [Å] | 1.677 | 1.680 |
| Rmerge | 0.051 | 0.409 |
| Number of reflections | 122052 | |
| <I/σ(I)> | 33.7 | 4.2 |
| Completeness [%] | 99.4 | 87.3 |
| Redundancy | 3.5 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbatch under paraffin oil | 5.6 | 293 | 25% PEG 4000, 0.17M ammonium acetate, 0.085M sodium citrate, 15% glycerol, 3mM SAM, pH 5.6, Microbatch under paraffin oil, temperature 293K |
