2B30

Initial Crystallographic Structural Analysis of a putative HAD/COF-like hydrolase from Plasmodium vivax

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Detector technology	CCD
Collection date	2005-07-13
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9739
Spacegroup name	P 1 21 1
Unit cell lengths	64.101, 101.792, 97.337
Unit cell angles	90.00, 93.93, 90.00

Refinement procedure

Resolution	37.240 - 2.700
R-factor	0.20004
Rwork	0.197
R-free	0.25984
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb entries 1L6R 1nf2 1nrw 1rkq 1tj3 and 1RLM
RMSD bond length	0.009
RMSD bond angle	1.104
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.850
High resolution limit [Å]	2.700	2.700
Number of reflections	34235
<I/σ(I)>	8.1	3.2
Completeness [%]	99.7	99.6
Redundancy	3.3	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	PEG 8000, calcium chloride, MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K