8HK9

Apo-form of Periplasmic terephthalate binding protein (TBP) from Ideonella sakaiensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2020-11-13
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	I 4
Unit cell lengths	131.883, 131.883, 75.577
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.990 - 2.000
R-factor	0.18399
Rwork	0.181
R-free	0.23749
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.412
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.062	0.040	0.259
Number of reflections	43351	4027	3635
<I/σ(I)>	14.5
Completeness [%]	90.4	93.2	83.8
Redundancy	1.8	1.8	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	20 % PEG3350 and 0.2 M Magnesium nitrate hexahydrate