2BRE

STRUCTURE OF A HSP90 INHIBITOR BOUND TO THE N-TERMINUS OF YEAST HSP90.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-07-06
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	44.700, 112.620, 114.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.000
R-factor	0.2251
Rwork	0.225
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bgq
RMSD bond length	0.007
RMSD bond angle	1.209
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.300	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.060	0.260
Number of reflections	39677
<I/σ(I)>	15.6	5.5
Completeness [%]	99.5	98.8
Redundancy	3.7	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		pH 7.00