4NCM

Influenza polymerase basic protein 2 (PB2) bound to a small-molecule inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-19
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 65
Unit cell lengths	82.100, 82.100, 54.360
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.050 - 2.820
R-factor	0.1706
Rwork	0.170
R-free	0.19110
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4nce
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	global (phasing autoproc)
Data scaling software	global (phasing autoproc)
Refinement software	BUSTER (2.11.2)

Data quality characteristics

	Overall
Low resolution limit [Å]	43.186
High resolution limit [Å]	2.818
Rmerge	0.082
Number of reflections	4894
<I/σ(I)>	20.3
Completeness [%]	95.3
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.7	298	0.7 uL of protein solution (9.7 mg/mL protein, 50 mM Tris buffer pH 8, 200 mM sodium chloride, 2 mM dithiothreitol, 5 mM m7GTP) was mixed with 0.35 uL Hampton Research Silver Bullet screening reagent #36. This mixture was combined with 0.35 uL of well solution (approximately 1.3 M sodium formate, 100 mM sodium citrate buffer pH 4.6, 5 mM dithiothreitol) and suspended over 1 mL of well solution, VAPOR DIFFUSION, HANGING DROP, temperature 298K