4CGV

First TPR of Spaghetti (RPAP3) bound to HSP90 peptide SRMEEVD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-21
Detector	DECTRIS PILATUS 2M
Spacegroup name	P 1
Unit cell lengths	52.050, 59.120, 65.860
Unit cell angles	63.42, 67.50, 82.43

Refinement procedure

Resolution	54.832 - 2.540
R-factor	0.2416
Rwork	0.240
R-free	0.26710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	IN-HOUSE STRUCTURE
RMSD bond length	0.005
RMSD bond angle	0.751
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.830	2.610
High resolution limit [Å]	2.540	2.540
Rmerge	0.100	0.360
Number of reflections	20092
<I/σ(I)>	8.1	2
Completeness [%]	94.0	94.1
Redundancy	2.7	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		pH 7