7KW3
Non Ribosomal PCP domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2018-10-18 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 43 3 2 |
Unit cell lengths | 100.914, 100.914, 100.914 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.130 - 2.300 |
R-factor | 0.1852 |
Rwork | 0.184 |
R-free | 0.20600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | model from iTasser |
RMSD bond length | 0.006 |
RMSD bond angle | 0.822 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.130 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rpim | 0.030 | 0.390 |
Number of reflections | 8284 | 780 |
<I/σ(I)> | 24.3 | 2.1 |
Completeness [%] | 100.0 | |
Redundancy | 40.9 | |
CC(1/2) | 1.000 | 0.734 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293.15 | BIS-TRIS, Ammonium Sulfate |