7AKT
CrPetF variant - A39G_A41V
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-06-19 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 25.966, 51.231, 32.255 |
Unit cell angles | 90.00, 112.13, 90.00 |
Refinement procedure
Resolution | 25.810 - 1.110 |
R-factor | 0.1767 |
Rwork | 0.175 |
R-free | 0.19130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6lk1 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.247 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (Version 1.14-3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.900 | 1.140 |
High resolution limit [Å] | 1.110 | 1.110 |
Rmerge | 0.065 | 0.783 |
Number of reflections | 31128 | 2302 |
<I/σ(I)> | 8.92 | |
Completeness [%] | 99.4 | |
Redundancy | 3.38 | |
CC(1/2) | 0.997 | 0.566 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 281.15 | 2 % (w/v) benzamidine hydrochloride, 1.8 M (NH4)2SO4 and 0.2 M NaSCN in 0.1 M sodium citrate buffer |