4JGB

Crystal Structure of Putative exported protein from Burkholderia pseudomallei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-10
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	67.390, 76.280, 78.580
Unit cell angles	90.00, 93.42, 90.00

Refinement procedure

Resolution	50.000 - 2.050
R-factor	0.2069
Rwork	0.204
R-free	0.26010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dhn
RMSD bond length	0.012
RMSD bond angle	1.461
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.100
High resolution limit [Å]	2.050	9.170	2.050
Rmerge	0.081	0.032	0.288
Number of reflections	24798	290	1707
<I/σ(I)>	12.69	33.03	3.79
Completeness [%]	99.1	96.7	92.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	289	JCSG+, D4: 0.2M Lithium sulfate, 0.1M Sodium acetate pH 4.5, 30% (w/v) PEG8000, VAPOR DIFFUSION, SITTING DROP, temperature 289K