6IJP

The structure of the ADAL-IMP complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	50.884, 81.288, 86.619
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.874 - 1.850
R-factor	0.1599
Rwork	0.159
R-free	0.17840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ada
RMSD bond length	0.015
RMSD bond angle	1.232
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.077	0.327
Number of reflections	31541	4139
<I/σ(I)>	32.9
Completeness [%]	99.8	99.8
Redundancy	6.3	6.5
CC(1/2)	0.992	0.944

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	32% PEG 3350, 0.1 M NaCl, 0.1 M Tris-HCl (pH 9.0)