37TT

Crystal structure of Z4-C3ii

Replaces:  9CC4

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	2024-03-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92010
Spacegroup name	P 1 21 1
Unit cell lengths	67.593, 68.520, 111.752
Unit cell angles	90.00, 90.88, 90.00

Refinement procedure

Resolution	32.750 - 2.990
R-factor	0.237
Rwork	0.231
R-free	0.29050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.493
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (2.0_5936)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.840	3.150
High resolution limit [Å]	2.990	2.990
Rmerge	0.113	1.265
Rpim	0.060	0.683
Number of reflections	19063	3022
<I/σ(I)>	6.3	1.1
Completeness [%]	90.7	99.8
Redundancy	5.1	5.5
CC(1/2)	0.993	0.523

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.03M Sodium fluoride, 0.03M Sodium bromide, 0.03 Sodium iodide, 0.0501M MOPS, 0.0499M Sodium HEPES, 12.5% v/v MPD, 12.5% w/v PEG 1000, 12.5% w/v PEG 3350