6J1F
Crystal structure of HypX from Aquifex aeolicus in complex with Tetrahydrofolic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-05-26 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.9 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 80.020, 123.735, 290.004 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.314 - 2.100 |
R-factor | 0.1792 |
Rwork | 0.177 |
R-free | 0.21270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6j0p |
RMSD bond length | 0.008 |
RMSD bond angle | 0.852 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.071 | 0.861 |
Rmeas | 0.077 | 0.934 |
Rpim | 0.030 | 0.360 |
Number of reflections | 84116 | 8275 |
<I/σ(I)> | 15.24 | 1.8 |
Completeness [%] | 99.7 | 99.5 |
Redundancy | 6.9 | |
CC(1/2) | 0.998 | 0.713 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG3350, HEPES-NaOH, Glycerol |