6K5Q

Crystal structure of lysozyme complexed with a bioactive compound from Jatropha gossypiifolia

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.999995
Spacegroup name	P 43 21 2
Unit cell lengths	77.074, 77.074, 38.654
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.552 - 1.177
R-factor	0.1767
Rwork	0.176
R-free	0.19360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2lym
RMSD bond length	0.009
RMSD bond angle	1.273
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.552	1.250
High resolution limit [Å]	1.177	1.177
Rmerge	0.030	0.036
Rmeas	0.040	0.520
Number of reflections	38548	11537
<I/σ(I)>	22.8	2.38
Completeness [%]	98.4	96.5
Redundancy	3.51	3.3
CC(1/2)	0.990	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	100mM Sodium Acetate pH 4.5, 20% (v/v) Ethylene Glycol