9XYQ

Crystal structure of juvenile hormone acid methyltransferase CfJHAMT in complex with SAH (crystal form 2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-21
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9793
Spacegroup name	P 1
Unit cell lengths	40.471, 193.835, 34.788
Unit cell angles	90.02, 90.13, 89.98

Refinement procedure

Resolution	48.460 - 2.840
R-factor	0.18127
Rwork	0.179
R-free	0.21473
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.763
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.460	2.990
High resolution limit [Å]	2.840	2.840
Rmerge	0.072	0.263
Rmeas	0.102	0.372
Rpim	0.072	0.263
Number of reflections	22456	3372
<I/σ(I)>	4.7
Completeness [%]	90.0
Redundancy	1.9	2
CC(1/2)	0.993	0.874

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8.5	296	0.2 M Calcium chloride, 0.1 M TRIS pH 8.5, 25 %(w/v) PEG 4000