5LM3

Plasmodium falciparum nicotinic acid mononucleotide adenylyltransferase complexed with APC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033208
Spacegroup name	P 1 21 1
Unit cell lengths	55.240, 38.920, 62.710
Unit cell angles	90.00, 113.54, 90.00

Refinement procedure

Resolution	32.230 - 2.500
R-factor	0.2145
Rwork	0.211
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5llt
RMSD bond length	0.001
RMSD bond angle	0.388
Data reduction software	XDS (20151231)
Data scaling software	XSCALE
Phasing software	PHENIX (1.10.1_2155)
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.200	2.560
High resolution limit [Å]	2.500	2.500
Rmerge	0.123	0.815
Number of reflections	8537
<I/σ(I)>	8.16	2.05
Completeness [%]	98.2	99.5
Redundancy	3.6	3.7
CC(1/2)	0.995	0.831

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	14 mg/ml, 0.15 M bicine, pH 8.5 and 19% PEG 6000, 5mM APC