4QCF

Crystal structure of N-terminal mutant (V1A) of an alkali thermostable GH10 xylanase from Bacillus sp. NG-27

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-10-13
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	73.570, 80.120, 69.900
Unit cell angles	90.00, 110.81, 90.00

Refinement procedure

Resolution	26.780 - 2.260
R-factor	0.177
Rwork	0.174
R-free	0.22480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.955
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]	65.340	26.762	2.380
High resolution limit [Å]	2.260	7.150	2.260
Rmerge		0.024	0.153
Rpim		0.014	0.081
Total number of observations		2842	12456
Number of reflections	17095
<I/σ(I)>	25.5	46.8	10
Completeness [%]	96.3	97.2	94.5
Redundancy	5.2	5	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1M NaCl, 0.09M MgCl2, 0.05M Tris HCl pH 8.5, 15% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K