8EE1
KS-AT didomain from module 2 of the 6-deoxyerythronolide B synthase in complex with antibody fragment AA5
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 | 2022-03-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 249.370, 252.440, 63.920 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.620 - 2.700 |
R-factor | 0.2262 |
Rwork | 0.225 |
R-free | 0.25380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6c9u |
RMSD bond length | 0.011 |
RMSD bond angle | 1.265 |
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] | 39.620 | 39.620 | 2.770 |
High resolution limit [Å] | 2.700 | 12.070 | 2.700 |
Rmerge | 0.162 | 0.041 | 2.991 |
Rmeas | 0.165 | 0.042 | 3.049 |
Total number of observations | 2985709 | ||
Number of reflections | 110267 | 1397 | 8137 |
<I/σ(I)> | 17.97 | 68.94 | 1.66 |
Completeness [%] | 98.3 | 96.2 | 98.7 |
Redundancy | 27.077 | 24.639 | 26.322 |
CC(1/2) | 0.999 | 1.000 | 0.599 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | Morpheus reagents (0.1 M Carboxylic Acids Mix, 0.1 M Buffer System 2, pH 7.0, 30.6 % v/v Precipitant Mix 2), Silver bullet reagents (0.004 M cadmium chloride hydrate, 0.004 M cobalt(II) chloride hexahydrate, 0.004 M copper(II) chloride dihydrate, 0.004 nickel(II) chloride hexahydrate, 0.02 M HEPES sodium, pH 6.8) |