6RG0

Structure of pdxj

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-10-31
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	80.050, 188.124, 192.884
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.438 - 3.074
R-factor	0.1854
Rwork	0.182
R-free	0.24850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ho1 1m5w
RMSD bond length	0.010
RMSD bond angle	1.241
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.440	3.184
High resolution limit [Å]	3.074	3.074
Rmerge	0.114	1.086
Rmeas	0.114	1.127
Rpim	0.031	0.298
Number of reflections	27529	2544
<I/σ(I)>	23.01
Completeness [%]	99.3
Redundancy	13.6	14
CC(1/2)	0.999	0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	PEG