3FJV

Crystal structure of novel protein of unknown function (YP_111841.1) from BURKHOLDERIA PSEUDOMALLEI K96243 at 1.90 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97871,0.97808
Spacegroup name	P 21 21 21
Unit cell lengths	35.775, 90.816, 131.927
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.408 - 1.900
R-factor	0.183
Rwork	0.181
R-free	0.21900
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.493
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.408	45.408	1.970
High resolution limit [Å]	1.900	4.080	1.900
Rmerge	0.075	0.031	0.723
Number of reflections	34769	3698	3498
<I/σ(I)>	11.44	30.3	2
Completeness [%]	99.6	97.6	99.7
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.2000M Li2SO4, 10.0000% PEG-3000, 0.1M Imidazole pH 8.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K