7WRP
Crystal Structure of pks13-ACP domain from Corynebacterium diphtheriae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9784 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 48.886, 48.886, 111.882 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.568 - 1.794 |
R-factor | 0.1965 |
Rwork | 0.196 |
R-free | 0.21330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6c4q |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
High resolution limit [Å] | 1.794 | 4.880 | 1.800 |
Rmerge | 0.121 | 0.095 | 0.591 |
Rmeas | 0.125 | 0.098 | 0.603 |
Rpim | 0.028 | 0.023 | 0.122 |
Number of reflections | 13451 | 786 | 667 |
<I/σ(I)> | 7.4 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 22.2 | 19.4 | 24.3 |
CC(1/2) | 0.997 | 0.954 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 8 | 293 | 0.2 M (NH4)2SO4, 0.1 M NaAc??3H2O pH 4.6, 25% w/v PEG 4,000, VAPOR DIFFUSION, Sitting DROP, temperature 293K |