9XGD

Crystal structure of dKeima570 at pH 4.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9794
Spacegroup name	P 31 2 1
Unit cell lengths	84.584, 84.584, 105.296
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.670 - 2.100
R-factor	0.2124
Rwork	0.209
R-free	0.25869
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.841
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Number of reflections	26036	1274
<I/σ(I)>	24.52
Completeness [%]	100.0
Redundancy	7.5
CC(1/2)	0.995	0.456

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	Na-acetate, magnesium acetate, PEG8000