4X1W

Crystal structure of unbound RHDVb P domain

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	2013-09-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.984463
Spacegroup name	P 1 21 1
Unit cell lengths	59.190, 83.130, 118.290
Unit cell angles	90.00, 93.21, 90.00

Refinement procedure

Resolution	19.798 - 1.950
R-factor	0.1814
Rwork	0.180
R-free	0.21240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4egt
RMSD bond length	0.005
RMSD bond angle	0.981
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.800		2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.166	0.052	0.768
Rmeas	0.187	0.059	0.935
Total number of observations	384589
Number of reflections	83210	902	6082
<I/σ(I)>	7.82	23.96	1.35
Completeness [%]	99.6	90.4	98.4
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	291	Lithium chloride, PEG 6000, Citric Acid