7YH8

Crystal structure of a heterochiral protein complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	Cu FINE FOCUS
Temperature [K]	100
Detector technology	CCD
Collection date	2022-04-23
Detector	AGILENT ATLAS CCD
Wavelength(s)	1.54
Spacegroup name	P 21 21 2
Unit cell lengths	54.064, 81.922, 35.722
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.370 - 2.200
R-factor	0.2047
Rwork	0.202
R-free	0.24970
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000 (7.8)
Data scaling software	HKL-2000 (V721.1)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.051	0.024	0.172
Rmeas	0.058	0.028	0.199
Rpim	0.028	0.014	0.097
Total number of observations	34163
Number of reflections	8507	472	398
<I/σ(I)>	12.8
Completeness [%]	98.5	95.5	91.9
Redundancy	4	3.2	3.5
CC(1/2)		0.999	0.975

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291.15	20% (W/V) PEG 8000, 100mM Tris base/Hydrochloric acid pH8.5, 100mM Magnesium chloride, 20% (V/V) PEG400