6QVG
Human SHMT2 in complex with lometrexol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.07 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 158.807, 158.807, 208.257 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 208.260 - 2.320 |
R-factor | 0.20112 |
Rwork | 0.199 |
R-free | 0.23580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.430 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 208.300 | 208.300 |
High resolution limit [Å] | 2.320 | 2.320 |
Number of reflections | 2640873 | |
<I/σ(I)> | 14.7 | |
Completeness [%] | 99.8 | |
Redundancy | 39.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 291 | 0.1 M Bis-tris pH 6.5, 28 % PEGMME2000 |