1LOM

CYANOVIRIN-N DOUBLE MUTANT P51S S52P

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-02-14
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	48.093, 48.093, 79.670
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	18.460 - 1.720
Rwork	0.267
R-free	0.28900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ezm
RMSD bond length	0.011
RMSD bond angle	26.800 *
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000 *	1.830
High resolution limit [Å]	1.720	1.720
Rmerge	0.047 *
Total number of observations	111482 *
Number of reflections	11809
<I/σ(I)>	43.4
Completeness [%]	99.8	92.7
Redundancy	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	1.26M ammonium sulfate, 0.1M cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	1.26 (M)
2	1	reservoir	cacodylate	0.1 (M)	pH6.5