4YZP

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

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)	0.9724
Spacegroup name	P 43 21 2
Unit cell lengths	90.700, 90.700, 120.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.130 - 1.700
R-factor	0.1678
Rwork	0.166
R-free	0.19760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ndy
RMSD bond length	0.007
RMSD bond angle	1.055
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]	64.130	64.130	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.078	0.035	0.552
Rpim	0.058	0.025	0.417
Total number of observations	127819	1076	6897
Number of reflections	52079
<I/σ(I)>	7.1	17.4	1.7
Completeness [%]	94.1	91.4	95.9
Redundancy	2.5	2.7	2.5
CC(1/2)	0.991	0.996	0.571

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