7K38

Crystal structure of Pisum sativum KAI2 in complex with GR24-ent5DS product

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2019-10-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	87.089, 71.820, 48.794
Unit cell angles	90.00, 117.30, 90.00

Refinement procedure

Resolution	43.360 - 2.000
R-factor	0.1727
Rwork	0.168
R-free	0.21410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5z9h
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.082	0.045	0.316
Rmeas	0.089	0.049	0.355
Rpim	0.036	0.020	0.158
Total number of observations	108361
Number of reflections	17837	929	720
<I/σ(I)>	13.7
Completeness [%]	99.0	100	81.3
Redundancy	6.1	6.1	4.5
CC(1/2)		0.997	0.938

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1M HEPES pH 7.5, 2.75% PEG 2000, 2.75% PEG 3350, 2.75% PEG 4000, 2.75% PEG-ME 5000