5IRW

Crystal structure of avidin in complex with 1-desthiobiotinylpyrene

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99999
Spacegroup name	P 21 21 21
Unit cell lengths	58.970, 81.520, 107.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.680 - 2.100
R-factor	0.19721
Rwork	0.195
R-free	0.23103
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vgw
RMSD bond length	0.020
RMSD bond angle	1.956
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.100
Rmerge	0.041	0.695
Number of reflections	30993
<I/σ(I)>	24.34	3.35
Completeness [%]	99.9	99.9
Redundancy	6.53	6.79

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	292.15	Morpheus Screen (Molecular Dimensions) A1 solution (0.1 M IMIDAZOLE/MES MONOHYDRATE (ACID) BUFFER PH 6.5, 10% W/V POLYETHYLENE GLYCOL 20000, 20% V/V PEG 500 MME, 0.03 M MAGNESIUM CHLORIDE HEXAHYDRATE AND 0.03 M CALCIUM CHLORIDE DIHYDRATE), VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 292.15K