3NNG
Crystal structure of the F5/8 type C domain of Q5LFR2_BACFN protein from Bacteroides fragilis. Northeast Structural Genomics Consortium Target BfR258E
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-15 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97907 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.208, 62.463, 72.001 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.232 - 2.177 |
| R-factor | 0.167 |
| Rwork | 0.164 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k3i |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.026 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.6_289) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.260 |
| High resolution limit [Å] | 2.177 | 2.180 |
| Rmerge | 0.088 | 0.215 |
| Number of reflections | 26066 | |
| <I/σ(I)> | 21.8 | 5.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.3 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbatch under Paraffin oil | 7 | 291 | 40% PEG 4000, 0.1M calcium chloride, 0.1M Bis-Tris Propane, pH 7.0, Microbatch under Paraffin oil, temperature 291K |
