5EFD

Crystal structure of a surface pocket creating mutant (W6A) of an alkali thermostable GH10 xylanase from Bacillus sp. NG-27

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-29
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.82656
Spacegroup name	P 21 21 21
Unit cell lengths	54.990, 76.600, 176.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	88.245 - 1.674
R-factor	0.1591
Rwork	0.158
R-free	0.18730
RMSD bond length	0.014
RMSD bond angle	1.621
Data reduction software	SCALA
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	88.245	32.097	1.760
High resolution limit [Å]	1.674	5.290	1.670
Rmerge		0.026	0.421
Rmeas	0.085
Rpim	0.035	0.012	0.198
Total number of observations	496202	17477	66169
Number of reflections	86625
<I/σ(I)>	14.7	27.9	4
Completeness [%]	99.8	99.6	99.3
Redundancy	5.7	5.8	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M NaCl, 0.16M MgCl2, 0.05M Tris HCl pH 8.5, 20% PEG 8000