9MHK

The structure of Zcp triple mutant H29A, H31A, H142A

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	2022-11-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	55.476, 91.421, 126.438
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.430 - 2.110
R-factor	0.1691
Rwork	0.168
R-free	0.19410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.826
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	0.111	0.055	0.671
Rmeas	0.121	0.061	0.728
Rpim	0.048	0.025	0.279
Total number of observations	234566
Number of reflections	37327	3968	3666
<I/σ(I)>	8.5
Completeness [%]	99.9	99.6	100
Redundancy	6.3	5.7	6.6
CC(1/2)	0.993	0.997	0.820

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