9LH0

High-resolution crystal structure of an isoform of Chitin Binding Protein from Iberis umbellata L.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-22
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.6888
Spacegroup name	P 21 21 2
Unit cell lengths	45.352, 72.981, 31.373
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.820 - 0.910
R-factor	0.1768
Rwork	0.176
R-free	0.18610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.763
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]	28.820	0.920
High resolution limit [Å]	0.910	0.910
Rmerge	0.060	0.060
Rmeas	0.060	0.060
Rpim	0.026	0.019
Number of reflections	76151	555
<I/σ(I)>	9.39	9.39
Completeness [%]	99.9	99.9
Redundancy	5.7	1.9
CC(1/2)	0.990	0.012

Crystallization Conditions

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