9V6Z

Crystal structure of Isoform Chitin Binding Protein from Iberis umbellata L. (IuCBP III)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97
Spacegroup name	P 21 21 2
Unit cell lengths	45.179, 73.121, 31.296
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.420 - 1.440
R-factor	0.191
Rwork	0.190
R-free	0.21880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.779
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHENIX
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.200	1.510
High resolution limit [Å]	1.400	1.440
Rmerge	0.066	0.082
Rmeas	0.071	0.090
Rpim	0.028	0.030
Number of reflections	19586	3620
<I/σ(I)>	0.3	5.55
Completeness [%]	100.0	100
Redundancy	5.3	2.2
CC(1/2)	0.998	0.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.3	293	2.2M Ammonium sulfate, 0.2M Lithium Nitrate 16-20mg Protein in 50mM Sodium acetate, 150mM Sodium Chloride, pH 4.3