4QDM

Crystal structure of N-terminal mutant (V1L) 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	2012-05-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.82656
Spacegroup name	P 21 21 21
Unit cell lengths	54.880, 76.580, 176.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.190 - 1.964
R-factor	0.1535
Rwork	0.152
R-free	0.19010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2f8q
RMSD bond length	0.019
RMSD bond angle	1.802
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	88.365	40.155	2.070
High resolution limit [Å]	1.964	6.210	1.960
Rmerge		0.027	0.213
Rpim		0.011	0.088
Total number of observations		12597	48215
Number of reflections	52548
<I/σ(I)>	18.5	31.5	8.7
Completeness [%]	97.3	99.6	94.3
Redundancy	6.9	6.6	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1M NaCl, 0.16M MgCl2, 0.05M Tris HCl pH 8.5, 18% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K