4JGS

Crystal structure of the xmrv tm retroviral fusion core

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-10
Detector	RIGAKU SATURN A200
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	99.973, 148.420, 58.098
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.580 - 2.200
R-factor	0.214
Rwork	0.214
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mof
RMSD bond length	0.013
RMSD bond angle	1.310
Data reduction software	d*TREK (9.9.8.9D)
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.580	47.580	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.088	0.041	0.554
Total number of observations		31344	26966
Number of reflections	44752
<I/σ(I)>	9	24.8	2.1
Completeness [%]	99.9	99.3	99.6
Redundancy	6.6	6.3	5.73

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	23% (w/v) PEG 3350, 0.1 M Bis-Tris pH 5.5, 0.2 M NaCl and 4% (v/v) 2,2,2-trifluoroethanol, VAPOR DIFFUSION, HANGING DROP, temperature 293K