9B7C
high-resolution ambient temperature structure of lysozyme soaked with sodium iodide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 295 |
Detector technology | PIXEL |
Collection date | 2020-08-12 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.03752 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 79.405, 79.405, 37.837 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.150 - 1.100 |
R-factor | 0.1111 |
Rwork | 0.111 |
R-free | 0.12290 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.049 |
Data reduction software | DIALS (3.2.0) |
Data scaling software | Aimless (0.7.4) |
Phasing software | AutoSol |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 79.410 | 1.120 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.059 | 2.278 |
Rmeas | 0.060 | 2.344 |
Rpim | 0.005 | 0.527 |
Total number of observations | 9534 | |
Number of reflections | 85383 | 526 |
<I/σ(I)> | 53.6 | 1.5 |
Completeness [%] | 91.3 | |
Redundancy | 123.4 | 18.1 |
CC(1/2) | 1.000 | 0.440 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG4000, sodium citrate, 100 mM sodium iodide, glycerol |