4B11

Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 13)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-23
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	57.340, 119.030, 175.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.720 - 1.590
R-factor	0.17297
Rwork	0.171
R-free	0.21878
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4b10
RMSD bond length	0.024
RMSD bond angle	2.307
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0025)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.000	1.630
High resolution limit [Å]	1.590	1.590
Rmerge	0.100	0.660
Number of reflections	161262
<I/σ(I)>	12.2	2.9
Completeness [%]	99.7	99.9
Redundancy	7.2	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		0.2 M AMMONIUM SULPHATE, 24-26 % PEG 3350, 0.1 M BIS TRIS PH 6.0 - 6.5