6JIB
Human MTHFD2 in complex with DS44960156
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-05-15 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1 |
| Spacegroup name | P 65 |
| Unit cell lengths | 116.424, 116.424, 113.178 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.000 - 2.250 |
| R-factor | 0.2031 |
| Rwork | 0.201 |
| R-free | 0.24320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dia |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.626 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.050 | 46.050 | 2.310 |
| High resolution limit [Å] | 2.250 | 9.810 | 2.250 |
| Rmerge | 0.098 | 0.088 | 0.937 |
| Rmeas | 0.104 | 0.093 | 1.080 |
| Rpim | 0.032 | 0.029 | 0.529 |
| Total number of observations | 354192 | ||
| Number of reflections | 41331 | 524 | 3207 |
| <I/σ(I)> | 13.8 | ||
| Completeness [%] | 100.0 | 99 | 99.6 |
| Redundancy | 8.6 | 10.6 | 4.2 |
| CC(1/2) | 0.986 | 0.946 | 0.574 |
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 |
