4BJ8

Zebavidin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-19
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 2
Unit cell lengths	182.240, 196.840, 52.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.580 - 2.400
R-factor	0.19546
Rwork	0.192
R-free	0.26596
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wbi
RMSD bond length	0.013
RMSD bond angle	1.749
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.120	0.610
Number of reflections	74935
<I/σ(I)>	14	3
Completeness [%]	100.0	99
Redundancy	8.2	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP			THE PROTEIN SOLUTION (1.6 MG/ML; 50 MM TRIS-HCL. PH 7) WAS MIXED WITH BIOTIN SOLUTION (1 MG/ML; 5 MM TRIS, PH 8.8, 8 MM CHES, PH 9.5) IN 10:1 V/V RATIO BEFORE CRYSTALLIZATION. SITTING DROPS WITH 300 NL OF PROTEIN-LIGAND SOLUTION AND 150 NL OF WELL SOLUTION (0.18 M MAGNESIUM CHLORIDE, 0.09 M BIS TRIS, PH 5.5, 23% W/V PEG 3350) WERE USED. 30% V/V GLYCEROL IN WELL SOLUTION WAS ADDED TO THE DROP BEFORE FREEZING IN LIQUID NITROGEN.