4QWO

1.52 Angstrom Crystal Structure of A42R Profilin-like Protein from Monkeypox Virus Zaire-96-I-16

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	41.617, 50.498, 119.617
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.810 - 1.520
R-factor	0.14186
Rwork	0.141
R-free	0.16644
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.517
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	SHELXS
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.550
High resolution limit [Å]	1.520	1.520
Rmerge	0.087	0.547
Number of reflections	39686
<I/σ(I)>	31.4	3.2
Completeness [%]	100.0	100
Redundancy	7.1	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	295	Protein: 2.43 mg/ml, 0.5 M Sodium chloride, 0.01 M Tris-HCL buffer pH(8.3), 5mM BME; Screen: PACT (D6), 0.1M MMT buffer (pH 9.0), 25%(w/v) PEG 1500, VAPOR DIFFUSION, SITTING DROP, temperature 295K