5WC9

Human Pit-1 and 4xCATT DNA complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93.15
Detector technology	IMAGE PLATE
Collection date	2017-04-28
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.541870
Spacegroup name	P 1 21 1
Unit cell lengths	66.415, 97.518, 85.093
Unit cell angles	90.00, 93.65, 90.00

Refinement procedure

Resolution	47.200 - 3.150
R-factor	0.2327
Rwork	0.231
R-free	0.27720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1au7
RMSD bond length	0.005
RMSD bond angle	0.587
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.200	3.263
High resolution limit [Å]	3.150	3.150
Rmerge	0.224	0.532
Rpim	0.076	0.281
Number of reflections	18198	1681
<I/σ(I)>	10.57	2.24
Completeness [%]	95.9	87.13
Redundancy	9.2	3.9
CC(1/2)	0.990	0.989

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M MES pH 6.5, 17.5% (w/v) PEG 6000, 5%(v/v) MPD