3GPI
Structure of putative NAD-dependent epimerase/dehydratase from methylobacillus flagellatus
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.574, 68.892, 96.141 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.440 |
| R-factor | 0.193 |
| Rwork | 0.192 |
| R-free | 0.22600 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.550 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.500 |
| High resolution limit [Å] | 1.440 | 3.120 | 1.440 |
| Rmerge | 0.111 | 0.098 | 0.338 |
| Number of reflections | 43343 | ||
| <I/σ(I)> | 29.129 | ||
| Completeness [%] | 99.8 | 99.5 | 98.6 |
| Redundancy | 7.6 | 10.3 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.1M Tris-HCl pH 7.0, 20% PEG 1000, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
