3LJN

Ankyrin repeat protein from Leishmania major

Experimental procedure

Experimental method	three wavelength MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-01-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97954, 0.97963, 0.95369
Spacegroup name	P 21 21 2
Unit cell lengths	57.293, 85.656, 76.814
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.925 - 2.900
Rwork	0.229
R-free	0.29490
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.248
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (refmac_5.5.0096)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.000
High resolution limit [Å]	2.900	6.240	2.900
Rmerge	0.130	0.061	0.928
Number of reflections	8482
<I/σ(I)>	7.1
Completeness [%]	95.3	92.4	85.9
Redundancy	3.4	3.4	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9	293	protein buffer 25 mM HEPES pH 7.5, 100 mM NaCl; crystallization buffer 100 mM NaCl, 100 mM MMT pH 9.0, 22% PEG 2000MME, vapor diffusion, temperature 293K