7TPU

Crystal structure of a chitinase-modifying protein from Fusarium vanettenii (Fvan-cmp)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2019-07-12
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	80.795, 94.651, 110.478
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.760 - 2.194
Rwork	0.197
R-free	0.25320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	RoseTTAFold prediction
RMSD bond length	0.007
RMSD bond angle	1.475
Data reduction software	HKL-2000 (721.4)
Data scaling software	HKL-2000 (721.4)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.240
High resolution limit [Å]	2.190	5.970	2.200
Rmerge	0.356	0.283	1.202
Rmeas	0.389	0.311	1.316
Rpim	0.153	0.125	0.523
Number of reflections	43664	2314	2143
<I/σ(I)>	5.4
Completeness [%]	99.1	96.4	99.2
Redundancy	6.1	5.8	6
CC(1/2)		0.904	0.567

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	287	NaCl, MES, PEG 4000. Cryoprotected with additional 10% PEG 400.