3KPE

Solution structure of the respiratory syncytial virus (RSV)six-helix bundle complexed with TMC353121, a small-moleucule inhibitor of RSV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-03
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 21 3
Unit cell lengths	63.248, 63.248, 63.248
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.070 - 1.470
R-factor	0.16489
Rwork	0.163
R-free	0.19638
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g2c
RMSD bond length	0.015
RMSD bond angle	1.736
Data reduction software	HKL-2000
Data scaling software	TRUNCATE
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall
Low resolution limit [Å]	19.070
High resolution limit [Å]	1.470
Number of reflections	14596
Completeness [%]	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	30% (v/v) PEG-400 + 100 mM HEPES, pH 7.5 + 200 mM NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K