7EFZ

Structure of Thermotoga maritima GH5 endoglucanase TM1752 in complex with TRIS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-10-08
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	61.000, 61.610, 201.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.019 - 1.690
R-factor	0.156
Rwork	0.155
R-free	0.18580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vjz
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER
Refinement software	PHENIX (1.16)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.340	40.340	1.720
High resolution limit [Å]	1.690	8.940	1.690
Rmerge	0.076	0.045	0.424
Rmeas	0.083	0.047	0.479
Rpim	0.030	0.013	0.219
Total number of observations	553735	8558	15593
Number of reflections	83492	689	3492
<I/σ(I)>	13	32.6	2.5
Completeness [%]	97.0	99	78.5
Redundancy	6.6	12.4	4.5
CC(1/2)	0.995	0.999	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM sodium citrate tribasic dihydrate (pH 5.8-6.2), 8-14% (v/v) isopropanol, 8-16% (w/v) PEG 4000