8H17

Crystal structure of the Globin domain of Thermosynechococcus elongatus BP-1

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	2022-01-18
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 43 21 2
Unit cell lengths	54.041, 54.041, 112.966
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.230 - 2.150
R-factor	0.17855
Rwork	0.176
R-free	0.22292
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Alfa fold
RMSD bond length	0.017
RMSD bond angle	1.874
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.230
High resolution limit [Å]	2.150	2.150
Number of reflections	9714	932
<I/σ(I)>	65.5
Completeness [%]	99.7
Redundancy	23.9
CC(1/2)	0.990	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	1.5 M Ammonium sulfate, 0.1 M MES 0.02 M Cobalt chloride hexahydrate 10% Glycerol