7EHJ
human MTHFD2 in complex with compound 21, cofactor and phosphate.
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 | 2020-04-07 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 65 |
Unit cell lengths | 115.056, 115.056, 113.559 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 26.850 - 2.160 |
R-factor | 0.1935 |
Rwork | 0.192 |
R-free | 0.23130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5tc4 |
Data reduction software | HKL-2000 (2.3.10) |
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 | 2.240 |
High resolution limit [Å] | 2.160 | 4.650 | 2.160 |
Rmerge | 0.082 | 0.043 | 0.411 |
Rmeas | 0.094 | 0.050 | 0.480 |
Rpim | 0.046 | 0.025 | 0.241 |
Total number of observations | 186084 | ||
Number of reflections | 45361 | 4611 | 4172 |
<I/σ(I)> | 12.2 | ||
Completeness [%] | 98.8 | 98.5 | 91.6 |
Redundancy | 4.1 | 3.9 | 3.3 |
CC(1/2) | 0.996 | 0.816 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291.15 | isopropanol, bis-Tris, pH6.5, PEG 200 |