5ZHW

VanYB in complex with D-Alanine-D-Alanine

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	2012-11-23
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	85.861, 40.578, 115.449
Unit cell angles	90.00, 108.62, 90.00

Refinement procedure

Resolution	30.000 - 2.180
R-factor	0.16142
Rwork	0.159
R-free	0.20755
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zhf
RMSD bond length	0.010
RMSD bond angle	1.339
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.220
High resolution limit [Å]	2.180	2.180
Number of reflections	19873
<I/σ(I)>	17.6
Completeness [%]	98.8
Redundancy	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	PEG 1500, Glycerol