7RGR
Lysozyme 056 from Deep neural language modeling
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 92.5 |
Detector technology | PIXEL |
Collection date | 2021-06-25 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.11636 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.150, 68.100, 95.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.430 - 2.480 |
R-factor | 0.2608 |
Rwork | 0.259 |
R-free | 0.29640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | trRosetta prediction |
RMSD bond length | 0.004 |
RMSD bond angle | 0.632 |
Data reduction software | XDS (Feb 5, 2021) |
Data scaling software | XSCALE (Feb 5, 2021) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.430 | 2.540 |
High resolution limit [Å] | 2.475 | 2.475 |
Rmerge | 0.133 | |
Rmeas | 0.139 | |
Number of reflections | 14751 | 1088 |
<I/σ(I)> | 13.72 | 1.96 |
Completeness [%] | 99.9 | 99.6 |
Redundancy | 12.78 | 11.97 |
CC(1/2) | 0.999 | 0.721 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 293 | 0.1 M CHES 9.5 pH, 30 %w/v PEG 3K |