6H79

SSX structure of Lysozyme in flow - metal-kapton microfluidic device

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID13
Synchrotron site	ESRF
Beamline	ID13
Temperature [K]	293
Detector technology	PIXEL
Collection date	2017-11-22
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.954
Spacegroup name	P 43 21 2
Unit cell lengths	79.300, 79.300, 37.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.070 - 2.100
R-factor	0.16832
Rwork	0.166
R-free	0.21572
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mjj
RMSD bond length	0.009
RMSD bond angle	1.548
Data reduction software	CrystFEL (0.6.3)
Data scaling software	CrystFEL (0.6.3)
Phasing software	MOLREP (11.6.04)
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.070	2.170
High resolution limit [Å]	2.100	2.100
Number of reflections	7013
<I/σ(I)>	5.57	1.36
Completeness [%]	100.0	100
Redundancy	121.1	87.6
CC(1/2)	0.960	0.320

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	3.5	275	3:1 v/v precipitant solution:protein solution precipitant: 50 mM NaAc pH 3.5, 1M NaCl, 35% ethylene glycol, 20% PEG3350 protein buffer: 50 mM NaAc (pH 3.5)