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