8DTA

Metal sensitive GFP (mseGFP) complexed with phenylarsine oxide.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2021-07-07
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	I 2 3
Unit cell lengths	126.802, 126.802, 126.802
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.890 - 1.810
R-factor	0.1653
Rwork	0.164
R-free	0.18300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jc0
RMSD bond length	0.013
RMSD bond angle	1.251
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.900	1.875
High resolution limit [Å]	1.810	1.810
Rmerge	0.111	1.018
Rmeas	0.115	1.049
Rpim	0.027	0.250
Number of reflections	30947	3068
<I/σ(I)>	33.07	3.8
Completeness [%]	99.7	100
Redundancy	17.5	17.4
CC(1/2)	0.999	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	0.1M Tris, pH 8 0.2M Lithium sulfate 32% PEG3350