3ZEK

Hen egg-white lysozyme structure determined at room temperature by in- situ diffraction in ChipX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	298
Detector technology	PIXEL
Collection date	2012-08-20
Detector	DECTRIS PILATUS 2M
Spacegroup name	P 43 21 2
Unit cell lengths	79.250, 79.250, 37.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.415 - 1.430
R-factor	0.1692
Rwork	0.169
R-free	0.18260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1iee
RMSD bond length	0.004
RMSD bond angle	0.937
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.520
High resolution limit [Å]	1.430	1.430
Rmerge	0.090	0.410
Number of reflections	22727
<I/σ(I)>	17.4	3.7
Completeness [%]	98.9	97.4
Redundancy	9.4	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	4.5	293	LYSOZYME WAS CRYSTALLIZED AT 293 K BY COUNTER-DIFFUSION IN A CHIPX MICROFLUIDIC DEVICE. MICROFLUIDIC CHANNELS WERE FILLED WITH A 50 MG/ML LYSOZYME SOLUTION CONTAINING 0.3% BETA-OCTYL-GLUCOSIDE (M/V) TO FACILITATE SAMPLE LOADING BY CAPILLARITY. CRYSTALLANT RESERVOIRS WERE FILLED WITH 1 M NACL CONTAINING 30% (M/V) PEG-3350 OR 2 M NACL, AND 0.1 M SODIUM ACETATE PH 4.5.