8PYY
Amide bond synthetase from Streptomyces hindustanus in open conformation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 120 |
Detector technology | PIXEL |
Collection date | 2022-11-20 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.95374 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 161.530, 161.530, 162.380 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 57.320 - 2.900 |
R-factor | 0.17657 |
Rwork | 0.175 |
R-free | 0.21379 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.598 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.320 | 3.080 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.340 | 1.930 |
Rpim | 0.050 | 0.030 |
Number of reflections | 28308 | 4468 |
<I/σ(I)> | 11.3 | 1.5 |
Completeness [%] | 100.0 | |
Redundancy | 40.1 | |
CC(1/2) | 1.000 | 0.830 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 1.8 M Li2SO4; 0.1M bis-tris propane pH 6.5 |