6O2H

Hen lysozyme in triclinic 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	2017-06-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9768
Spacegroup name	P 1
Unit cell lengths	27.424, 32.134, 34.513
Unit cell angles	88.66, 108.46, 111.88

Refinement procedure

Resolution	32.548 - 1.212
Rwork	0.097
R-free	0.11720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lzt
RMSD bond length	0.029
RMSD bond angle	2.604
Data reduction software	XDS (Jun 1, 2017)
Data scaling software	Aimless (0.5.29)
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.550	1.230
High resolution limit [Å]	1.210	1.210
Rpim	0.025	0.038
Number of reflections	30111	832
<I/σ(I)>	27.4	12.5
Completeness [%]	96.1	52.9
Redundancy	4.7	1.4
CC(1/2)	0.995	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.5	295	8 microliter drops with 5-15 mg/mL protein, 224-300 mM NaNO3, 50 mM NaOAc pH 4.5, under paraffin oil