7AFU
The structure of Artemis variant H33A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-05-17 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 |
Unit cell lengths | 35.966, 47.897, 48.373 |
Unit cell angles | 82.51, 75.94, 87.73 |
Refinement procedure
Resolution | 35.530 - 1.560 |
R-factor | 0.1895 |
Rwork | 0.188 |
R-free | 0.21250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6tt5 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.278 |
Data reduction software | DIALS |
Data scaling software | Aimless (0.5.28) |
Phasing software | PHASER (2.8.2) |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.530 | 35.530 | 1.590 |
High resolution limit [Å] | 1.560 | 8.540 | 1.560 |
Rmerge | 0.061 | 0.036 | 0.374 |
Total number of observations | 149695 | 979 | 4515 |
Number of reflections | 41612 | 262 | 1381 |
<I/σ(I)> | 11.3 | 33.3 | 2.6 |
Completeness [%] | 94.2 | 98.9 | 63.7 |
Redundancy | 3.6 | 3.7 | 3.3 |
CC(1/2) | 0.998 | 0.997 | 0.841 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277.15 | 0.1 M Sodium Citrate pH 5.5, 20% PEG 3350 |