8AKP
Crystal structure of the catalytic domain of G7048 from Penicillium sumatraense
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 11.2C |
Synchrotron site | ELETTRA |
Beamline | 11.2C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-02-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9999 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 79.220, 87.300, 42.530 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.650 - 1.900 |
R-factor | 0.1659 |
Rwork | 0.164 |
R-free | 0.20360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wtp |
RMSD bond length | 0.006 |
RMSD bond angle | 0.772 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.650 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.610 | |
Rmeas | 0.090 | |
Number of reflections | 23992 | 1519 |
<I/σ(I)> | 18.5 | 4.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 11.4 | 11.6 |
CC(1/2) | 0.990 | 0.950 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 300 | 1.4M Na Citrate tribasic dihydrate 0.1M; Tris HCl |