8X4I
Crystal structure of the D117A mutant of DIMT1 in complex with 5'-methylthioadenosine from Pyrococcus horikoshii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2022-09-01 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 6 |
Unit cell lengths | 124.920, 124.920, 36.810 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 62.540 - 3.300 |
R-factor | 0.20993 |
Rwork | 0.201 |
R-free | 0.28654 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 1.211 |
Data reduction software | MOSFLM (7.4.0) |
Data scaling software | Aimless (0.7.13) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.540 | 3.570 |
High resolution limit [Å] | 3.300 | 3.300 |
Rmerge | 0.164 | 0.513 |
Rmeas | 0.188 | 0.586 |
Rpim | 0.091 | 0.281 |
Total number of observations | 7428 | |
Number of reflections | 9013 | 1735 |
<I/σ(I)> | 9.1 | 2.9 |
Completeness [%] | 93.2 | |
Redundancy | 4.3 | 4.3 |
CC(1/2) | 0.967 | 0.875 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6.4 | 293 | 0.2 M Zinc Acetate Dihydrate, 20% (w/v) PEG 3350 |