5ZL9

Engineered chitinase, SmChiAB-FYSFV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AichiSR BEAMLINE BL2S1
Synchrotron site	AichiSR
Beamline	BL2S1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-02-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.12
Spacegroup name	C 2 2 21
Unit cell lengths	71.770, 190.030, 132.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.508 - 2.600
R-factor	0.1688
Rwork	0.166
R-free	0.21430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eib
RMSD bond length	0.008
RMSD bond angle	0.882
Data reduction software	XDS (VERSION Jan 26, 2018 BUILT=20180307)
Data scaling software	XDS (VERSION Jan 26, 2018 BUILT=20180307)
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.510	2.760
High resolution limit [Å]	2.600	2.600
Number of reflections	28365	4480
<I/σ(I)>	14.3	2.78
Completeness [%]	99.8	98.9
Redundancy	14.7	14.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.4-0.7 M Sodium citrate 5-10% MeOH