1Z1X

Crystal Structure of a novel disintegrin from Saw-scaled viper at 3.2 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2005-02-10
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	I 41 2 2
Unit cell lengths	91.368, 91.368, 54.941
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.000 - 3.200
R-factor	0.23594
Rwork	0.234
R-free	0.26480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rmr
RMSD bond length	0.024
RMSD bond angle	2.350
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.550	3.320
High resolution limit [Å]	3.200	3.200
Number of reflections	2058
<I/σ(I)>	8.3	3.9
Completeness [%]	99.6	97.6
Redundancy	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	1.2M AMMONIUM SULFATE, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K