7YA3
Formate dehydrogenase from Novosphingobium sp. AP12 with NADP and Azide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-03-24 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 43 |
| Unit cell lengths | 64.343, 64.343, 180.621 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.320 - 3.000 |
| R-factor | 0.1715 |
| Rwork | 0.167 |
| R-free | 0.25270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6t9w |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.394 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.050 |
| High resolution limit [Å] | 3.000 | 8.130 | 3.000 |
| Rmerge | 0.088 | 0.056 | 0.305 |
| Rmeas | 0.100 | 0.064 | 0.358 |
| Rpim | 0.047 | 0.031 | 0.184 |
| Total number of observations | 59350 | ||
| Number of reflections | 14557 | 730 | 725 |
| <I/σ(I)> | 13.5 | ||
| Completeness [%] | 99.1 | 96.3 | 98.6 |
| Redundancy | 4.1 | 4.1 | 3.4 |
| CC(1/2) | 0.993 | 0.855 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | PEG 3350, sodium malonate |
