3KSV

Hypothetical protein from Leishmania major

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-07-08
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9784
Spacegroup name	C 2 2 21
Unit cell lengths	52.628, 67.764, 76.182
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.900
R-factor	0.2
Rwork	0.198
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.311
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	REFMAC (refmac_5.5.0096)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.067	0.047	0.229
Number of reflections	8847
<I/σ(I)>	13.4
Completeness [%]	79.5	97.4	53.8
Redundancy	6.5	6.6	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9.2	293	protein buffer 25 mM HEPES pH 7.25, 125 mM NaCl; crystallization buffer 0.1 M TRIX/Glycine pH 9.2, 0.2 M MgCl2, 28% PEG 4000, vapor diffusion, temperature 293K