6GXR

Crystal structure of BP39L lectin from Burkholderia pseudomallei at 1.7 A resolution

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	2013-10-31
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	46.076, 87.549, 159.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.550 - 1.700
R-factor	0.1593
Rwork	0.157
R-free	0.19609
Structure solution method	SAD
RMSD bond length	0.023
RMSD bond angle	2.099
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.550	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.071	0.430
Number of reflections	33933	4942
<I/σ(I)>	25.1	6.2
Completeness [%]	94.7	95.9
Redundancy	14	14.3
CC(1/2)	1.000	0.924

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	290	0.1 M MES, 15% PEG 5000 MME, 0.2 M ammonium sulphate, pH 6.5