4ASF

The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-06
Detector	RIGAKU CCD
Spacegroup name	P 43 2 2
Unit cell lengths	73.734, 73.734, 109.363
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.210 - 2.600
R-factor	0.20418
Rwork	0.200
R-free	0.29225
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	IN-HOUSE MODEL
RMSD bond length	0.015
RMSD bond angle	1.899
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.140	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.080	0.530
Number of reflections	9800
<I/σ(I)>	12.4	2.6
Completeness [%]	99.9	100
Redundancy	8.02	7.45

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		pH 7