6SYD

Crystal structure of the lysozyme in presence of bromophenol blue at pH 5.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	78.498, 78.498, 37.341
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.040 - 1.100
R-factor	0.2079
Rwork	0.207
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6f1r
RMSD bond length	0.005
RMSD bond angle	0.705
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.040	19.040	1.120
High resolution limit [Å]	1.100	6.030	1.100
Rmerge	0.037	0.026	0.893
Rmeas	0.040	0.028	0.966
Rpim	0.015	0.010	0.361
Total number of observations		2093	16028
Number of reflections	89752	331	2334
<I/σ(I)>	18.1	53.9	1.7
Completeness [%]	99.7	94.1	100
Redundancy	6.7	6.3	6.9
CC(1/2)	1.000	0.999	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	0.1 M sodium acetate, 0.3-0.5 sodium chloride at pH 4.6. After growth, and before measurement, these crystals were soaked in the dye solution: saturated bromophenol blue, 0.3 M sodium chloride, 0.1 M sodium acetate buffer at pH 5.5.