7AGI
The structure of Artemis variant H35D
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) | 0.976 |
Spacegroup name | P 1 |
Unit cell lengths | 35.968, 48.046, 48.445 |
Unit cell angles | 82.43, 76.01, 87.34 |
Refinement procedure
Resolution | 47.620 - 1.700 |
R-factor | 0.1908 |
Rwork | 0.190 |
R-free | 0.21020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6tt5 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.315 |
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] | 47.620 | 47.620 | 1.730 |
High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
Rmerge | 0.058 | 0.037 | 0.279 |
Total number of observations | 122618 | 839 | 6463 |
Number of reflections | 33409 | 229 | 1719 |
<I/σ(I)> | 13.4 | 30.4 | 4.6 |
Completeness [%] | 97.4 | 99.1 | 95.4 |
Redundancy | 3.7 | 3.7 | 3.8 |
CC(1/2) | 0.997 | 0.994 | 0.927 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277.15 | 0.1M Sodium Citrate pH 5.5, 20% PEG 3350 |