6T5X
Crystal structure of Salmonella typhimurium FabG in complex with NADPH at 1.5 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-27 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 77.430, 71.144, 81.366 |
Unit cell angles | 90.00, 94.42, 90.00 |
Refinement procedure
Resolution | 58.210 - 1.500 |
R-factor | 0.1602 |
Rwork | 0.159 |
R-free | 0.18500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4afn |
RMSD bond length | 0.009 |
RMSD bond angle | 1.479 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.490 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.025 | 0.387 |
Rmeas | 0.032 | 0.491 |
Rpim | 0.020 | 0.335 |
Number of reflections | 67342 | 3464 |
<I/σ(I)> | 18.3 | 2.5 |
Completeness [%] | 95.9 | 97.4 |
Redundancy | 2.3 | 2.3 |
CC(1/2) | 0.999 | 0.843 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M LiSO4 0.1 M HEPES pH 7.5 25 %w/v PEG3350 10 mM NADPH (added to the protein solution) Cryoprotection of the crystals: dipping them in 0.2 M LiSO4 0.1 M HEPES pH 7.5 25 %w/v PEG3350 26% Glycerol |