5WMT

Structure of GRP94 N-terminal Domain bound to resorcinylic inhibitor BnIm.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	94.412, 94.730, 179.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.544 - 2.748
R-factor	0.2088
Rwork	0.207
R-free	0.23650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1u0z
RMSD bond length	0.002
RMSD bond angle	0.514
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.12rc0_2784: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	34.544
High resolution limit [Å]	2.600
Number of reflections	49257
<I/σ(I)>	34.8
Completeness [%]	98.1
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 2000, Lithium sulfate, Sodium cacodylate