2AR1

Structure of Hypothetical protein from Leishmania major

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-3
Synchrotron site	SSRL
Beamline	BL11-3
Temperature [K]	100
Detector technology	CCD
Collection date	2004-12-02
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 2
Unit cell lengths	31.199, 64.607, 72.559
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.514 - 1.602
R-factor	0.187
Rwork	0.185
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	low resolution MAD structure
RMSD bond length	0.021
RMSD bond angle	1.927
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.2.0005 24/04/2001)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.650
High resolution limit [Å]	1.600	3.660	1.600
Rmerge	0.041	0.021	0.693
Number of reflections	18997
<I/σ(I)>	10.068	31.852	1.603
Completeness [%]	95.3
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	273	1.0 ul protein 8.2 mg/ml 1.0 ul crystallization buffer 2.8 M Na Malonate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 273K