4TV4

Crystal structure of a Putative uncharacterized protein from Burkholderia pseudomallei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-19
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 21 21 2
Unit cell lengths	86.310, 147.450, 45.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.244 - 2.100
R-factor	0.1834
Rwork	0.181
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v4h
RMSD bond length	0.008
RMSD bond angle	1.043
Data reduction software	XDS
Data scaling software	XSCALE (2.5.7)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1730))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.042	0.021	0.554
Rmeas	0.045	0.024	0.602
Total number of observations	222062
Number of reflections	34393	418	2522
<I/σ(I)>	25.86	59.15	3.41
Completeness [%]	99.8	91.1	100
Redundancy	6.46		6.58

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	Molecular Dimensions Morpheus screen, h10: 10% w/v PEG 8000, 20% v/v ethylene glycol, 20mM of each sodium l-glutamate, DL-alanine, glycine, DL-lysine HCl, DL-serine, 100mM bicine/Trizma base pH 8.5; BupsA.17290.b.A1.PS00991 at 21mg/ml