5DF0

Crystal structure of AcMNPV Chitinase A in complex WITH CHITOTRIO-THIAZOLINE DITHIOAMIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-16
Detector	PSI PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	96.712, 112.766, 129.591
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.978 - 3.251
R-factor	0.2318
Rwork	0.226
R-free	0.28560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1edq
RMSD bond length	0.002
RMSD bond angle	0.485
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.090	3.367
High resolution limit [Å]	3.251	3.251
Number of reflections	20513
<I/σ(I)>	3.58	2.13
Completeness [%]	89.6	81.95
Redundancy	5.4	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Ammonium sulfate, MES