5F0X

Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 2'-deoxy-ADP and inorganic phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-01
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	56.347, 74.448, 85.882
Unit cell angles	90.00, 97.67, 90.00

Refinement procedure

Resolution	37.950 - 1.600
R-factor	0.1756
Rwork	0.174
R-free	0.20370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ey4
RMSD bond length	0.011
RMSD bond angle	1.249
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.620
High resolution limit [Å]	1.590	4.320	1.590
Rmerge	0.078	0.052	0.491
Total number of observations	444153
Number of reflections	94555
<I/σ(I)>	17.2
Completeness [%]	99.6	98.2	96.9
Redundancy	4.7	4.3	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	289	24-26% PEG3350, 0.1 M Tris-HCl, 0.2 M sodium chloride