8DYZ

Hen lysozyme in tetragonal space group at ambient temperature - diffuse scattering dataset

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	298
Detector technology	PIXEL
Collection date	2017-06-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9768
Spacegroup name	P 43 21 2
Unit cell lengths	79.632, 79.632, 38.296
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.820 - 1.272
Rwork	0.115
R-free	0.13320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	193l
RMSD bond length	0.016
RMSD bond angle	2.054
Data reduction software	XDS (20200131)
Data scaling software	Aimless (0.7.4)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.820	1.290
High resolution limit [Å]	1.270	1.270
Rmerge	0.046	0.380
Rmeas	0.047	0.426
Rpim	0.009	0.184
Number of reflections	32284	1229
<I/σ(I)>	39.2	3.7
Completeness [%]	98.0	78.1
Redundancy	23.8	4.6
CC(1/2)	1.000	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	295	Reservoir contained 1.1 M NaCl, 0.1 M NaOAc pH 4.8. Drops contained 2 microliters each of 40 mg/mL protein and well solution.