7BR4

Structure of deletion mutant 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	2017-07-19
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	75.350, 80.150, 88.860
Unit cell angles	90.00, 102.03, 90.00

Refinement procedure

Resolution	29.460 - 1.950
R-factor	0.1962
Rwork	0.194
R-free	0.23340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vjt
RMSD bond length	0.004
RMSD bond angle	0.663
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.4)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.11.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.450	43.450	2.000
High resolution limit [Å]	1.950	8.940	1.950
Rmerge	0.117	0.043	0.530
Rmeas	0.132	0.049	0.603
Rpim	0.061	0.023	0.283
Total number of observations	156648
Number of reflections	36415	408	2586
<I/σ(I)>	6.2		2
Completeness [%]	96.5	98.2	97.9
Redundancy	4.3	4.4	4.2
CC(1/2)	0.992	0.997	0.759

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	300	12% PEG 3350, 0.2 M trilithium citrate, 0.1 M imidazole pH 6.0, 2-propanol