4GK9

Crystal structure of Burkholderia oklahomensis agglutinin (BOA) bound to 3a,6a-mannopentaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-11-29
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	75.622, 75.622, 132.321
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.100 - 1.900
R-factor	0.1664
Rwork	0.165
R-free	0.19310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.068
Data reduction software	d*TREK (9.9.9.4D)
Data scaling software	d*TREK (9.9.9.4D)
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.100	38.100	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.080	0.057	0.254
Total number of observations		46641	13102
Number of reflections	30821
<I/σ(I)>	17.8	43.5	3.6
Completeness [%]	99.4	100	92.7
Redundancy	12.15	13.6	4.68

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	1.2 M sodium citrate, 0.15 M sodium cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K