6MX9

Lysozyme bound to 3-Aminophenol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9202
Spacegroup name	P 43 21 2
Unit cell lengths	80.085, 80.085, 37.197
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.310 - 1.350
R-factor	0.15898
Rwork	0.158
R-free	0.18590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n8z
RMSD bond length	0.029
RMSD bond angle	2.533
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.310	1.390
High resolution limit [Å]	1.350	1.350
Rmerge	0.068	0.725
Number of reflections	25655
<I/σ(I)>	21.9	3.2
Completeness [%]	99.7	96
Redundancy	12.8	11.3
CC(1/2)	0.998	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	10uL of 50mM 3-aminophenol was deposited on a cover slip and allowed to dry. A 20 uL pellet of 4% sodium chloride + 5% ethylene glycol + 10% glycerol in 2% agar was deposited on the cover slip. Adjacent to this was positioned lysozyme (10 ul of 30 mg/ml lysozyme in 100 mM sodium acetate pH 4.6). The cover slip was equilibrated over precipitant containing all the crystallization components.