4R4T

Crystal Structure of RPA70N in complex with 5-(4-((4-(5-carboxyfuran-2-yl)phenylthioamido)methyl)phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-07-19
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	38.190, 53.920, 54.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.007 - 1.280
R-factor	0.1409
Rwork	0.139
R-free	0.17470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ipc
RMSD bond length	0.010
RMSD bond angle	1.443
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.010	1.330
High resolution limit [Å]	1.280	1.280
Number of reflections	35763
<I/σ(I)>	18.13	2.72
Completeness [%]	99.8	100
Redundancy	6	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	100 mM MES, 200 mM Calcium Acetate, 20% PEG 8000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K