5KKI

1.7-Angstrom in situ Mylar structure of hen egg-white lysozyme (HEWL) at 100 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	77.820, 77.820, 38.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.910 - 1.700
R-factor	0.1661
Rwork	0.161
R-free	0.20970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zix
RMSD bond length	0.007
RMSD bond angle	1.026
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.910	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.059	0.209
Number of reflections	12515
<I/σ(I)>	4.28	1.38
Completeness [%]	92.0	95
Redundancy	1.9	1.9
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	4.5	293	100 mM NaOAc, 1 M NaCl, 30% (v/v) PEG 400