8VZ4
L54G Mutant of E. coli Dihydrofolate Reductase Complexed with Nicotinamide Adenine Dinucleotide Phosphate (oxidized form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-1 |
Synchrotron site | SSRL |
Beamline | BL12-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-01-21 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.493, 58.592, 70.208 |
Unit cell angles | 90.00, 102.08, 90.00 |
Refinement procedure
Resolution | 37.640 - 1.250 |
R-factor | 0.1654 |
Rwork | 0.164 |
R-free | 0.19520 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.579 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.21_5207: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.640 | 1.270 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.139 | 3.157 |
Rmeas | 0.144 | 3.305 |
Rpim | 0.038 | 0.955 |
Total number of observations | 1134224 | 42599 |
Number of reflections | 83315 | 3797 |
<I/σ(I)> | 10.1 | 1.2 |
Completeness [%] | 98.5 | |
Redundancy | 13.6 | 11.2 |
CC(1/2) | 0.999 | 0.762 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | PEG 6000, calcium chloride, Tris |