8EE0
KS-AT didomain from module 2 of the 6-deoxyerythronolide B synthase in complex with antibody fragment 1B2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 91.850, 91.850, 393.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.660 - 2.650 |
R-factor | 0.2129 |
Rwork | 0.211 |
R-free | 0.25420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6c9u |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.660 | 39.660 | 2.720 |
High resolution limit [Å] | 2.650 | 11.850 | 2.650 |
Rmerge | 0.267 | 0.043 | 2.511 |
Rmeas | 0.272 | 0.044 | 2.558 |
Total number of observations | 1321851 | ||
Number of reflections | 50353 | 686 | 3642 |
<I/σ(I)> | 14.31 | 56.7 | 1.66 |
Completeness [%] | 99.9 | 95.3 | 100 |
Redundancy | 26.252 | 20.853 | 27.49 |
CC(1/2) | 0.998 | 0.999 | 0.615 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 0.2 M lithium chloride, 0.1 M Tris, pH 7, 22.5% PEG8000 |