7WSB
The ternary complex structure of FtmOx1 with a-ketoglutarate and 13-oxo-fumitremorgin B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-09-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.978520 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 104.050, 85.447, 160.768 |
Unit cell angles | 90.00, 108.84, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.870 |
R-factor | 0.1624 |
Rwork | 0.161 |
R-free | 0.21100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4y5t |
RMSD bond length | 0.005 |
RMSD bond angle | 0.794 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.920 |
High resolution limit [Å] | 2.870 | 2.870 |
Number of reflections | 60482 | 2949 |
<I/σ(I)> | 13.39 | 2.44 |
Completeness [%] | 98.5 | |
Redundancy | 6.4 | |
CC(1/2) | 0.980 | 0.838 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M MES/Imidazole pH 6.5, 20% PEG 500 MME, 10% PEG 20,000, 0.03 M MgCl2, 0.03 M CaCl2 |