6LTC
Crystal Structure of Nonribosomal peptide synthetases (NRPS), FmoA3 (S1046A)-alpha-methyl-L-serine-AMP bound form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 95 |
Detector technology | PIXEL |
Collection date | 2017-11-21 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.1000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 164.206, 102.719, 137.412 |
Unit cell angles | 90.00, 117.01, 90.00 |
Refinement procedure
Resolution | 48.230 - 3.300 |
R-factor | 0.222 |
Rwork | 0.219 |
R-free | 0.26700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6lta |
RMSD bond length | 0.010 |
RMSD bond angle | 1.296 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.230 | 3.480 |
High resolution limit [Å] | 3.300 | 3.300 |
Rmerge | 1.011 | |
Number of reflections | 30791 | 4453 |
<I/σ(I)> | 14.5 | |
Completeness [%] | 100.0 | |
Redundancy | 7.2 | |
CC(1/2) | 0.999 | 0.818 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1M HEPES pH 7.0, 0.5M Li2SO4, 10% PEG 8000 |