6S6Y
X-ray crystal structure of the formyltransferase/hydrolase complex (FhcABCD) from Methylorubrum extorquens in complex with methylofuran
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-11-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00005 |
Spacegroup name | P 1 |
Unit cell lengths | 84.974, 130.322, 172.689 |
Unit cell angles | 84.97, 75.91, 82.09 |
Refinement procedure
Resolution | 24.949 - 3.100 |
R-factor | 0.2227 |
Rwork | 0.221 |
R-free | 0.25130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5t5i |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.500 | 48.502 | 3.270 |
High resolution limit [Å] | 3.100 | 9.800 | 3.100 |
Rmerge | 0.149 | 0.021 | 1.286 |
Rmeas | 0.209 | 0.030 | 1.811 |
Rpim | 0.147 | 0.021 | 1.275 |
Number of reflections | 124496 | 3869 | 18285 |
<I/σ(I)> | 5.2 | 28.8 | 0.6 |
Completeness [%] | 96.6 | 94.7 | 96.9 |
Redundancy | 1.8 | 1.8 | 1.8 |
CC(1/2) | 0.983 | 0.308 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.7 | 292 | The best hit was obtained in a CombiClover Junior Plate by using the sitting drop vapor diffusion method. 2 ul protein was mixed with 1 ul of the crystallization solution containing 0.2 M CaCl2 and 20% (w/v) PEG 3350. The protein buffer contained 25 mM Tris pH 7.7, 10% (v/v) glycerol, 2 mM DTT, 6 mM KCl and 200 mM NaCl. |