4J4E

Structure of P51G Cyanovirin-N swapped trimer in the P212121 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	93
Detector technology	CCD
Collection date	2011-11-15
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	61.694, 81.006, 137.546
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.773 - 2.400
R-factor	0.23888
Rwork	0.237
R-free	0.28144
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ezm
RMSD bond length	0.008
RMSD bond angle	1.090
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.773	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.120	0.425
Number of reflections	26277
<I/σ(I)>	11.4	3.6
Completeness [%]	94.7	91.2
Redundancy	10.17	9.89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	295	26% w/v PEG8000, 0.1 M sodium cacodylate, pH 6.5, 0.2 M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 295K