7CTD

Crystal structure of apo form of alpha-glucuronidase (TM0752) from Thermotoga maritima

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-06-02
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	72.690, 80.950, 88.380
Unit cell angles	90.00, 103.44, 90.00

Refinement procedure

Resolution	29.466 - 2.150
R-factor	0.1808
Rwork	0.178
R-free	0.22530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kcx
Data reduction software	MOSFLM (7.1)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (1.16-3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.466	30.300	2.270
High resolution limit [Å]	2.150	6.800	2.150
Rmerge	0.169	0.029	0.899
Rmeas	0.183	0.031	0.977
Rpim	0.070	0.012	0.376
Number of reflections	27091	873	3974
<I/σ(I)>	8.7	28.8	0.9
Completeness [%]	99.7	98.8	100
Redundancy	6.7	6.7	6.6
CC(1/2)	0.994	0.999	0.581

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	293	14 % PEG 3350, 0.2 M trilithium citrate, 0.1 M imidazole with pH 5.8, 2-propanol