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