5NAV

Crystal structure of the double mutant (Cys211Ser/Cys292Ser) 6-phospho-b-D-glucosidase from Lactobacillus plantarum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8726
Spacegroup name	C 1 2 1
Unit cell lengths	196.740, 192.060, 105.840
Unit cell angles	90.00, 102.39, 90.00

Refinement procedure

Resolution	38.380 - 2.300
R-factor	0.1648
Rwork	0.163
R-free	0.20570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5naq
RMSD bond length	0.008
RMSD bond angle	0.979
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.420	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.113	0.569
Rpim	0.067	0.353
Number of reflections	169552	24703
<I/σ(I)>	8.7
Completeness [%]	100.0	99.9
Redundancy	3.8	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	20% (w/v) PEG 3350, 0.2 M sodium citrate and 50 mM spermidine