8KB1
Crystal structure of 11JD
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 | 2023-06-09 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 87.593, 87.593, 119.023 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.100 - 2.460 |
R-factor | 0.2161 |
Rwork | 0.208 |
R-free | 0.29010 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.020 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.550 | 2.590 |
High resolution limit [Å] | 2.460 | 2.460 |
Rmerge | 0.130 | 1.111 |
Rmeas | 0.135 | 1.150 |
Rpim | 0.035 | 0.293 |
Total number of observations | 230035 | 38101 |
Number of reflections | 16047 | 2514 |
<I/σ(I)> | 16.4 | 2.8 |
Completeness [%] | 91.2 | |
Redundancy | 14.3 | 15.2 |
CC(1/2) | 0.999 | 0.905 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 277.15 | 0.1M HEPES pH 7.5 2.0M Ammonium sulfate |