3D3F
Crystal Structure of Yvgn and cofactor NADPH from Bacillus subtilis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-02 |
| Detector | SMART6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 80.517, 123.285, 57.226 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.24007 |
| Rwork | 0.236 |
| R-free | 0.30615 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3B3E |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.992 |
| Data reduction software | SAINT |
| Data scaling software | PROTEUM |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.400 | 2.470 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.100 | 0.100 |
| Number of reflections | 23334 | |
| <I/σ(I)> | 5.26 | 5.26 |
| Completeness [%] | 89.0 | 89 |
| Redundancy | 14 | 14.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 289 | 0.4M SODIUM NITRATE, 40% PEG3350, pH 7.5, Vapor diffusion, temperature 289K |
