8J4G
Crystal structure of 11JD mutant-I62N
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-03-25 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.605, 91.866, 117.814 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.490 |
R-factor | 0.193 |
Rwork | 0.190 |
R-free | 0.25820 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.997 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
High resolution limit [Å] | 2.490 | 5.380 | 2.500 |
Rmerge | 0.148 | 0.074 | 1.049 |
Rmeas | 0.155 | 0.077 | 1.093 |
Rpim | 0.043 | 0.022 | 0.304 |
Number of reflections | 33491 | 3567 | 3290 |
<I/σ(I)> | 4.7 | ||
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 12.8 | 11.9 | 12.6 |
CC(1/2) | 0.991 | 0.998 | 0.960 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 277.15 | PEG3350, magnesium chloride hexahydrate |