6DTU

Maltotetraose bound T. maritima MalE1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2018-06-12
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	34.645, 55.465, 93.542
Unit cell angles	96.80, 93.67, 101.95

Refinement procedure

Resolution	30.816 - 1.500
R-factor	0.2059
Rwork	0.205
R-free	0.22710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gha
RMSD bond length	0.007
RMSD bond angle	0.968
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.077	0.464
Number of reflections	90224	8982
<I/σ(I)>	3
Completeness [%]	83.4
Redundancy	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	25% poly-ethylene glycol (PEG) 4000, 18% isopropanol and 0.1M sodium citrate