7KH5

Hen Egg White Lysozyme in complex with tetrabromoterephthalic acid

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.91960
Spacegroup name	P 43 21 2
Unit cell lengths	77.987, 77.987, 37.757
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.125 - 1.295
R-factor	0.1947
Rwork	0.194
R-free	0.22350
Structure solution method	MAD
Data reduction software	XDS
Data scaling software	Aimless (0.5.25)
Phasing software	Auto-Rickshaw
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.990	38.990	1.300
High resolution limit [Å]	1.295	7.030	1.280
Rmerge	0.051	0.041	1.479
Rmeas	0.052	0.043	1.513
Rpim	0.010	0.010	0.317
Number of reflections	29530	232	1428
<I/σ(I)>	31
Completeness [%]	99.8	96.7	96.2
Redundancy	24.9	19.1	21.8
CC(1/2)	0.999	0.999	0.761

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.2 M Potassium sulfate, 20% w/v Polyethylene glycol 3,350
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.2 M Potassium sulfate, 20% w/v Polyethylene glycol 3,350