9GVH

Crystal structure 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)	0.976210
Spacegroup name	P 21 21 2
Unit cell lengths	45.135, 73.235, 31.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.740 - 1.340
R-factor	0.1906
Rwork	0.190
R-free	0.21180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.842
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]	28.740	1.400
High resolution limit [Å]	1.340	1.340
Rmerge	0.140	0.120
Rmeas	0.150	0.120
Rpim	0.060	0.034
Number of reflections	23901	3379
<I/σ(I)>	4.25	4.25
Completeness [%]	99.9	99.9
Redundancy	6	2.1
CC(1/2)	1.000	0.030

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