3NWP

Crystal structure of a 6-phosphogluconolactonase (Sbal_2240) from Shewanella baltica OS155 at 1.40 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-06
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97951,0.97936
Spacegroup name	P 21 21 21
Unit cell lengths	46.179, 72.019, 154.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.367 - 1.400
R-factor	0.169
Rwork	0.168
R-free	0.18600
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.625
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.367	27.367	1.450
High resolution limit [Å]	1.400	3.010	1.400
Rmerge	0.021	0.013	0.317
Number of reflections	98437	19128	12158
<I/σ(I)>	17.24	51.3	1.4
Completeness [%]	92.0	96.9	62.3
Redundancy	3.25

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	10.0000% Glycerol, 5.0000% PEG-3000, 30.0000% PEG-400, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K