3BFP

Crystal Structure of apo-PglD from Campylobacter jejuni

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-D
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MAR scanner 345 mm plate
Spacegroup name	P 63
Unit cell lengths	86.462, 86.462, 65.547
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.510 - 1.750
R-factor	0.2
Rwork	0.198
R-free	0.22500
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.193
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.810
High resolution limit [Å]	1.750	1.750
Number of reflections	28194
<I/σ(I)>	19.5	3
Completeness [%]	96.3	99
Redundancy	3.9	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.1 M Bis-tris pH 6.5, 0.15 M ammonium acetate, 26% (v/v) PEG400 or 0.1 M Bis-tris pH 6.5, 0.2M postassium acetate, 21% (v/v) PEG 400, vapor diffusion, sitting drop, temperature 20K, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.1 M Bis-tris pH 6.5, 0.15 M ammonium acetate, 26% (v/v) PEG400 or 0.1 M Bis-tris pH 6.5, 0.2M postassium acetate, 21% (v/v) PEG 400, vapor diffusion, sitting drop, temperature 20K, VAPOR DIFFUSION, SITTING DROP, temperature 298K