7TGK
Crystal structure of ATP bound DesD, the desferrioxamine synthetase from the Streptomyces griseoflavus ferrimycin biosynthetic pathway
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 113 |
Detector technology | PIXEL |
Collection date | 2020-01-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 126.407, 237.528, 326.829 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.950 - 2.300 |
R-factor | 0.1831 |
Rwork | 0.183 |
R-free | 0.21620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | unliganded FerDesD 7TGJ |
RMSD bond length | 0.015 |
RMSD bond angle | 1.246 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.000 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.102 | 1.400 |
Rpim | 0.040 | 0.550 |
Number of reflections | 216739 | 250917 |
<I/σ(I)> | 13.3 | 1.3 |
Completeness [%] | 99.9 | |
Redundancy | 13.3 | |
CC(1/2) | 0.999 | 0.627 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 287 | 0.05M BTP pH 7.0, 0.2M Ammonium sulfate 16% PEG 4000 (under oil 100%) |