5AUP

Crystal structure of the HypAB complex

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	121.945, 123.931, 55.099
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.537 - 3.102
R-factor	0.1969
Rwork	0.195
R-free	0.23850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3A43 and 3VX3
RMSD bond length	0.003
RMSD bond angle	0.527
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	3.210
High resolution limit [Å]	3.100	3.100
Rmerge	0.220
Number of reflections	31382
<I/σ(I)>	9	1.7
Completeness [%]	99.7	99.4
Redundancy	6.1	4.9

Crystallization Conditions

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