3D1L
Crystal structure of putative NADP oxidoreductase BF3122 from Bacteroides fragilis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-07 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.97949 |
| Spacegroup name | I 41 |
| Unit cell lengths | 154.995, 154.995, 54.313 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.710 - 2.190 |
| R-factor | 0.18801 |
| Rwork | 0.185 |
| R-free | 0.23905 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.459 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.220 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Rmerge | 0.089 | 0.503 |
| Number of reflections | 32819 | |
| <I/σ(I)> | 58.98 | 2.03 |
| Completeness [%] | 98.5 | 84.2 |
| Redundancy | 6.6 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 1.8 M Ammonium citrate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
