5OCJ

Crystal structure of Ag85C bound to cyclophostin 8beta inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-10
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.972
Spacegroup name	P 21 21 21
Unit cell lengths	67.390, 75.770, 137.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.095 - 1.800
R-factor	0.1514
Rwork	0.151
R-free	0.17480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hrh
RMSD bond length	0.006
RMSD bond angle	0.821
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.095	1.864
High resolution limit [Å]	1.800	1.800
Rmeas	0.097	1.049
Rpim		0.372
Number of reflections	65871	6486
<I/σ(I)>	16.66	2.24
Completeness [%]	99.9	99.85
Redundancy	8	7.8
CC(1/2)		0.729

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291	0.2 M Magnesium chloride hexahydrate, 0.1 M Sodium citrate tribasic dihydrate pH 5 and 10% w/v Polyethylene glycol 20000