5LLT

Plasmodium falciparum nicotinic acid mononucleotide adenylyltransferase complexed with NaAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-04-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	38.970, 52.110, 61.250
Unit cell angles	93.94, 90.00, 109.85

Refinement procedure

Resolution	39.603 - 2.200
R-factor	0.1724
Rwork	0.169
R-free	0.23450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h29
RMSD bond length	0.007
RMSD bond angle	0.976
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	CNS
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.048	0.200
Number of reflections	19100
<I/σ(I)>	14.1	4.97
Completeness [%]	83.3	41.3
Redundancy	1.7	1.65
CC(1/2)	0.998	0.969

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	16 mg/ml, 0.1 M bicine, pH 8.2 and 18% PEG 6000.