9MHL

The structure of Zcp with zinc bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.2825
Spacegroup name	P 21 21 21
Unit cell lengths	55.944, 93.032, 128.044
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.940 - 2.100
R-factor	0.2024
Rwork	0.201
R-free	0.22250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.643
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.18rc1_3777: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.151	0.075	2.412
Rmeas	0.157	0.078	2.515
Rpim	0.045	0.023	0.705
Number of reflections	74108	4256	3954
<I/σ(I)>	5.8
Completeness [%]	100.0	100	100
Redundancy	12.6	11.9	12.6
CC(1/2)	0.997	0.997	0.449

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	8% v/v tacsimate, pH 5.0, and 20% w/v polyethylene glycol 3,350