7Z5Y
CRYSTAL STRUCTURE OF WEISSELLA VIRIDESCENS FEMXVV NON-RIBOSOMAL AMINO ACID TRANSFERASE IN COMPLEX WITH A PEPTIDYL-XNA CONJUGATE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-09-23 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.873128 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.160, 101.960, 46.190 |
Unit cell angles | 90.00, 102.78, 90.00 |
Refinement procedure
Resolution | 41.200 - 1.710 |
R-factor | 0.2134 |
Rwork | 0.212 |
R-free | 0.24150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ii9 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.002 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.200 | 1.820 |
High resolution limit [Å] | 1.710 | 1.710 |
Rmeas | 0.267 | 2.925 |
Number of reflections | 38530 | 4605 |
<I/σ(I)> | 5.22 | 0.77 |
Completeness [%] | 94.0 | 69.9 |
Redundancy | 6 | |
CC(1/2) | 0.990 | 0.310 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 295 | Tri-sodium citrate , ammonium acetate, PEG 4000 |