6DTQ

Maltose bound T. maritima MalE3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2018-05-01
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	82.370, 124.034, 174.847
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.087 - 2.150
R-factor	0.1754
Rwork	0.174
R-free	0.20480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eu8
RMSD bond length	0.002
RMSD bond angle	0.610
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.230
High resolution limit [Å]	2.150	4.630	2.150
Rmerge	0.086	0.035	0.497
Total number of observations	299354
Number of reflections	93556	9461	8575
<I/σ(I)>	9.8
Completeness [%]	95.2	91.9	88.5
Redundancy	3.2	3.4	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	19% - 25% PEG 3350, 0.4 M sodium thiocynate