4BS7

Hen egg-white lysozyme structure determined at room temperature by in- situ diffraction and SAD phasing 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	2013-05-01
Detector	DECTRIS PILATUS 2M
Spacegroup name	P 43 21 2
Unit cell lengths	79.100, 79.100, 38.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.966 - 1.701
R-factor	0.1865
Rwork	0.186
R-free	0.19250
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.006
RMSD bond angle	1.093
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.850
High resolution limit [Å]	1.700	1.700
Rmerge	0.070	0.210
Number of reflections	21245
<I/σ(I)>	13.7	4.3
Completeness [%]	90.4	93.9
Redundancy	7.7	5.9

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 1.8 M NACL, 0.1 M SODIUM ACETATE PH 4.5 AND 0.05 M HPDO3A-YB.