4BIW

Crystal structure of CpxAHDC (hexagonal form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 61 2 2
Unit cell lengths	144.303, 144.303, 250.483
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.290 - 2.850
R-factor	0.208
Rwork	0.208
R-free	0.21330
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.010
RMSD bond angle	1.160
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.290	2.990
High resolution limit [Å]	2.850	2.850
Rmerge	0.070	1.020
Number of reflections	35353
<I/σ(I)>	18.4	2.1
Completeness [%]	97.1	98.3
Redundancy	11	11.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1