4BIY

Crystal structure of CpxAHDC (monoclinic form 2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Spacegroup name	I 1 2 1
Unit cell lengths	91.753, 139.109, 114.077
Unit cell angles	90.00, 99.19, 90.00

Refinement procedure

Resolution	47.740 - 3.300
R-factor	0.2013
Rwork	0.200
R-free	0.21890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.100
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.430	3.560
High resolution limit [Å]	3.300	3.300
Rmerge	0.140	0.740
Number of reflections	21081
<I/σ(I)>	7.8	2.4
Completeness [%]	98.9	95.8
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1