9KUE

Crystal structure of the soluble green pigment protein from Tettigonia cantans

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17UM
Synchrotron site	SSRF
Beamline	BL17UM
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-04
Detector	DECTRIS PILATUS 12M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	47.570, 87.256, 167.609
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.600 - 1.990
R-factor	0.22536
Rwork	0.223
R-free	0.26679
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	2.107
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.570	2.040
High resolution limit [Å]	1.990	1.990
Rmerge	0.307	1.796
Rmeas	0.313	1.863
Rpim	0.062	0.489
Total number of observations	1216322	49285
Number of reflections	48786	3470
<I/σ(I)>	8.6	1.8
Completeness [%]	99.9
Redundancy	24.9	14.2
CC(1/2)	0.996	0.412

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		288	0.1 M Tris-HCl pH 8.5, 0.2 M MgCl2, 30% PEG4000