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 |