3UW2

X-ray Crystal Structure of Phosphoglucomutase/phosphomannomutase family protein (BTH_I1489)from Burkholderia thailandensis

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	2011-10-28
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	67.376, 75.233, 104.423
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.040 - 1.950
R-factor	0.1791
Rwork	0.177
R-free	0.21970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.857
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	61.040	50.000	2.020
High resolution limit [Å]	1.950	4.200	1.950
Rmerge	0.063	0.027	0.481
Number of reflections	39125
<I/σ(I)>	7.8
Completeness [%]	99.2	98.2	95.8
Redundancy	5.3	5.1	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	289	JCSG+ Well B9: 0.1 M Citric Acid pH 4.0, 20% PEG 6000. ButhA.01370.a.A1 PS01178 CR_24 Peak2, VAPOR DIFFUSION, SITTING DROP, temperature 289K