4YZT

Crystal structure of a tri-modular GH5 (subfamily 4) endo-beta-1, 4-glucanase from Bacillus licheniformis complexed with cellotetraose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.000
Spacegroup name	P 43 21 2
Unit cell lengths	91.299, 91.299, 124.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.328 - 1.665
R-factor	0.1773
Rwork	0.175
R-free	0.21190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yzp
RMSD bond length	0.007
RMSD bond angle	1.085
Data reduction software	MOSFLM (7.1.3)
Data scaling software	Aimless (0.5.7)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (1.9-1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	73.660	73.660	1.690
High resolution limit [Å]	1.660	9.120	1.660
Rmerge	0.146	0.039	0.802
Rpim	0.072	0.020	0.381
Total number of observations	310788	2258	15858
Number of reflections	62144
<I/σ(I)>	6.9	20.4	2.2
Completeness [%]	99.8	99.9	99.9
Redundancy	5	4.8	5.2
CC(1/2)	0.994	0.989	0.286

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	22.5 % PEG 4000, 14 % isopropanol and 0.1 M sodium citrate