6KG2
Human MTHFD2 in complex with Compound 18
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-11-10 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 65 |
Unit cell lengths | 116.992, 116.992, 112.869 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 2.250 |
R-factor | 0.1953 |
Rwork | 0.193 |
R-free | 0.24970 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.677 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.220 | 46.220 | 2.310 |
High resolution limit [Å] | 2.250 | 9.810 | 2.250 |
Rmerge | 0.042 | 0.018 | 0.643 |
Rmeas | 0.049 | 0.021 | 0.774 |
Rpim | 0.026 | 0.011 | 0.424 |
Total number of observations | 142436 | 1705 | 10203 |
Number of reflections | 41534 | 518 | 3188 |
<I/σ(I)> | 8.1 | 31.7 | 0.6 |
Completeness [%] | 99.9 | 98.6 | 99.8 |
Redundancy | 3.4 | 3.3 | 3.2 |
CC(1/2) | 0.999 | 0.999 | 0.730 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 28% I-PROH, 0.1M BIS-TRIS, PH 6.5, 3% PEG 200, 10 MM SPERMIDINE |