6A6A
VanYB in complex with D-Alanine
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 | 2018-05-16 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 85.368, 40.830, 114.672 |
| Unit cell angles | 90.00, 109.08, 90.00 |
Refinement procedure
| Resolution | 36.460 - 2.260 |
| R-factor | 0.20523 |
| Rwork | 0.202 |
| R-free | 0.27630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5zhf |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.360 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.330 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.091 | 0.477 |
| Number of reflections | 17526 | 784 |
| <I/σ(I)> | 11.1 | |
| Completeness [%] | 99.1 | |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 295 | PEG 1500, sodium acetate |
