7EHM
Human MTHFD2 in complex with compound 21 and 15
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-03-06 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.0 |
Spacegroup name | P 65 |
Unit cell lengths | 114.232, 114.232, 114.164 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.920 - 2.130 |
R-factor | 0.1968 |
Rwork | 0.195 |
R-free | 0.22690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ehj |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.210 |
High resolution limit [Å] | 2.130 | 4.580 | 2.130 |
Rmerge | 0.061 | 0.032 | 0.555 |
Rmeas | 0.069 | 0.037 | 0.634 |
Rpim | 0.031 | 0.016 | 0.297 |
Total number of observations | 209917 | ||
Number of reflections | 47198 | 4775 | 4707 |
<I/σ(I)> | 9.9 | ||
Completeness [%] | 99.9 | 99.2 | 100 |
Redundancy | 4.4 | 4.3 | 4.4 |
CC(1/2) | 0.999 | 0.750 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 291.15 | isopropanol, bis-Tris pH 7.1, PEG 200, PEG 3350, glycerol |