4GU8

Crystal Structure of Burkholderia oklahomensis agglutinin (BOA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	93
Detector technology	CCD
Collection date	2011-07-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	119.722, 130.581, 149.994
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.410 - 2.400
R-factor	0.1955
Rwork	0.194
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	d*TREK (9.9.9.4D)
Data scaling software	d*TREK
Phasing software	PHASER (2.3.0)
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	18.410	18.410	2.490
High resolution limit [Å]	2.400	5.140	2.400
Rmerge	0.068	0.048	0.349
Total number of observations		67282	63599
Number of reflections	91789
<I/σ(I)>	13	29.3	4.1
Completeness [%]	99.6	99.9	99.1
Redundancy	7.02	6.99	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.2 M NaCl, 0.65 M (NH4)2HPO4, 0.1 M sodium citrate, 10% v/v glycerol, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K