4WNY

Crystal structure of a protein from the universal stress protein family from Burkholderia pseudomallei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-02
Detector	RAYONIX MX-225
Wavelength(s)	0.978726
Spacegroup name	P 31 2 1
Unit cell lengths	79.260, 79.260, 39.640
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.630 - 2.250
R-factor	0.2238
Rwork	0.224
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	balbes 1mjh
RMSD bond length	0.002
RMSD bond angle	0.489
Data reduction software	XDS
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	10.060	2.310
High resolution limit [Å]	2.250	7.120	2.250
Rmerge	0.064	0.023	0.501
Rmeas	0.069	0.025	0.538
Total number of observations	51565
Number of reflections	6890	148	508
<I/σ(I)>	22.26	66.85	3.75
Completeness [%]	97.8	91.9	100
Redundancy	7.48		7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	Rigaku Reagents JCSG+ screen, b10: 50% PEG 200, 200mM MgCl2, 100mM Na-cacodylate pH 6.5; BupsA.17310.a.A1.PW31024 at 28.5mg/ml