1SA3

An asymmetric complex of restriction endonuclease MspI on its palindromic DNA recognition site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2000-05-20
Detector	BRANDEIS - B4
Wavelength(s)	0.9207
Spacegroup name	P 1 21 1
Unit cell lengths	50.193, 131.601, 59.318
Unit cell angles	90.00, 109.69, 90.00

Refinement procedure

Resolution	42.580 - 1.950
R-factor	0.225
Rwork	0.223
R-free	0.25200
Structure solution method	combination of MAD and MIRAS
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	DM
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.980
High resolution limit [Å]	1.950	1.950
Number of reflections	52241
<I/σ(I)>	24.5	3.6
Completeness [%]	97.4	99.9
Redundancy	2.93	2.89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5		MES, ammonium sulfate, calcium chloride, PEG 8000, glycerol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 100K
1	VAPOR DIFFUSION, HANGING DROP	6.5		MES, ammonium sulfate, calcium chloride, PEG 8000, glycerol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 100K
1	VAPOR DIFFUSION, HANGING DROP	6.5		MES, ammonium sulfate, calcium chloride, PEG 8000, glycerol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 100K