2F16

Crystal structure of the yeast 20S proteasome in complex with bortezomib

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Collection date	2004-10-10
Detector	MARRESEARCH
Wavelength(s)	1.05
Spacegroup name	P 1 21 1
Unit cell lengths	136.175, 300.716, 144.659
Unit cell angles	90.00, 113.28, 90.00

Refinement procedure

Resolution	15.000 - 2.800
R-factor	0.231
Rwork	0.231
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yrp
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000
High resolution limit [Å]	2.800	2.800
Rmerge	0.091
Number of reflections	249075
Completeness [%]	96.5	80.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	293	12 % MPD 28mM MgAc2 50mM MES-NaOH, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K