8A53
Crystal structure of AtMCA-IIf C147A (metacaspase 9) from Arabidopsis thaliana
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 | 2021-10-14 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.231, 88.143, 82.475 |
Unit cell angles | 90.00, 102.26, 90.00 |
Refinement procedure
Resolution | 33.200 - 1.950 |
R-factor | 0.1755 |
Rwork | 0.174 |
R-free | 0.20810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AlphaFold model |
Data reduction software | XDS (Feb 5, 2021 BUILT=20210205) |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.16) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.380 | 44.380 | 1.990 |
High resolution limit [Å] | 1.950 | 10.130 | 1.950 |
Rmerge | 0.047 | 0.020 | 0.640 |
Rmeas | 0.051 | 0.022 | 0.689 |
Rpim | 0.019 | 0.008 | 0.252 |
Total number of observations | 580176 | 4027 | 31774 |
Number of reflections | 81454 | 612 | 4369 |
<I/σ(I)> | 21.4 | 74.6 | 3.2 |
Completeness [%] | 98.4 | 97.9 | 96.8 |
Redundancy | 7.1 | 6.6 | 7.3 |
CC(1/2) | 1.000 | 1.000 | 0.921 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Protein solution: 14.2 mg/ml in 20 mM Tris/HCl pH 7.4, 100 mM NaCl, Crystallisation condition: 0.2 M Ammonium nitrate pH 6.3, 20% PEG 3350 1 uL protein solution mix with 1 uL crystallisation condition and set up against 700 uL crystallisation condition in resorvoir |