27GZ

Juvenile hormone binding protein complexed with 2-Methyl-1-(4-butylbenzyl)-benzimidazole

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2020-12-11
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0000
Spacegroup name	P 63 2 2
Unit cell lengths	88.074, 88.074, 135.480
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.890 - 2.400
Rwork	0.235
R-free	0.28500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.948
Data reduction software	XDS
Data scaling software	pointless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0431)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.178	2.063
Rpim	0.029	0.333
Number of reflections	12778	1812
<I/σ(I)>	19.3	2.3
Completeness [%]	100.0
Redundancy	36.9
CC(1/2)	0.999	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M sodium acetate (pH 5.6), 1.7M ammonium sulfate, 3% (v/v) 1,6-hexanediol