3LHC

Crystal structure of cyanovirin-n swapping domain b mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2008-07-14
Detector	RIGAKU
Spacegroup name	P 32 2 1
Unit cell lengths	47.140, 47.140, 78.390
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.210 - 1.340
R-factor	0.199
Rwork	0.199
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ezm
RMSD bond length	0.008
RMSD bond angle	1.200
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER (1.3.1)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.210	1.390
High resolution limit [Å]	1.340	1.340
Rmerge	0.090	0.340
Number of reflections	23076
<I/σ(I)>	14	2.1
Completeness [%]	99.3	96.4
Redundancy	7.8	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6	295	20 MILI MOLAR SODIUM PHOSPHATE, 50 MILI MOLAR POTASSIUM PHOSPHATE, 20% POLYETHYLENE GLYCOL 8000, 0.01 % SODIUM AZIDE, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 295 K