7EHV
Human MTHFD2 in complex with compound 21 and 3
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 | 2020-07-29 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.0 |
Spacegroup name | P 65 |
Unit cell lengths | 112.889, 112.889, 113.883 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.340 - 2.610 |
R-factor | 0.1952 |
Rwork | 0.193 |
R-free | 0.23570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ehm |
Data reduction software | HKL-2000 (717.1) |
Data scaling software | SCALEPACK |
Phasing software | MOLREP (11.7.02) |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.700 |
High resolution limit [Å] | 2.610 | 5.610 | 2.610 |
Rmerge | 0.077 | 0.067 | 0.265 |
Rmeas | 0.092 | 0.081 | 0.320 |
Rpim | 0.050 | 0.045 | 0.177 |
Total number of observations | 79405 | ||
Number of reflections | 24877 | 2469 | 2502 |
<I/σ(I)> | 17.9 | ||
Completeness [%] | 99.6 | 96.7 | 100 |
Redundancy | 3.2 | 3.2 | 3.2 |
CC(1/2) | 0.986 | 0.925 |
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 |