5AUO

Crystal structure of the HypAB-Ni complex (AMPPCP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-14
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.1000
Spacegroup name	P 21 21 2
Unit cell lengths	74.361, 81.887, 61.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.949 - 1.800
R-factor	0.1839
Rwork	0.182
R-free	0.22260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a43 3vx3
RMSD bond length	0.005
RMSD bond angle	0.820
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.089	0.089
Number of reflections	72200
<I/σ(I)>	9	1.2
Completeness [%]	99.9	99.5
Redundancy	6.3	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.2	293	magnesium chloride, PEG 3350