6KCX

Crystal structure of citrate complex 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	2013-06-01
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	74.420, 80.410, 89.050
Unit cell angles	90.00, 102.10, 90.00

Refinement procedure

Resolution	40.205 - 1.933
R-factor	0.1432
Rwork	0.141
R-free	0.18430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vjt
RMSD bond length	0.005
RMSD bond angle	0.734
Data reduction software	MOSFLM (7.2.1)
Data scaling software	Aimless (0.1.26)
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX (1.11.1-2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.540	43.540	1.970
High resolution limit [Å]	1.930	8.830	1.930
Rmerge	0.076	0.032	0.362
Rmeas	0.083	0.035	0.399
Rpim	0.033	0.014	0.166
Total number of observations	232326	2527	12142
Number of reflections	38318	426	2221
<I/σ(I)>	18.2	43.4	4.8
Completeness [%]	98.6	99	80.6
Redundancy	6.1	5.9	5.5
CC(1/2)	0.998	0.999	0.889

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	12 % PEG 3350, 0.2 M trilithium citrate, 0.1 M imidazole, pH 5.8, 2-propanol