3CZZ

Crystal structure of Cyanovirin-N 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	2007-01-14
Detector	RIGAKU
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	34.160, 58.020, 87.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.010 - 1.360
R-factor	0.165
Rwork	0.165
R-free	0.18600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l5b
RMSD bond length	0.008
RMSD bond angle	1.520
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER (1.3.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.010	1.410
High resolution limit [Å]	1.360	1.360
Rmerge	0.038	0.228
Number of reflections	37884
<I/σ(I)>	20.5	3.5
Completeness [%]	99.0	94.7
Redundancy	4.43	2.94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	295	0.2M AMMONIUM ACETATE, 24% POLYETHYLE MONOMETYL ETHER, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K