6UER

Crystal form 2: Structure of TBP bound to C-C mismatch at pH 7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	88.879, 91.228, 97.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.708 - 2.500
R-factor	0.2019
Rwork	0.199
R-free	0.23790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6uep
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.708	2.562
High resolution limit [Å]	2.500	2.500
Rpim	0.066	0.416
Number of reflections	63767	1816
<I/σ(I)>	6.6	2.3
Completeness [%]	99.7
Redundancy	4
CC(1/2)	0.989	0.945

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M HEPES pH 7.0, 3.4 M sodium formate