5L16

Crystal Structure of N-terminus truncated selenophosphate synthetase from Leishmania major

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-05-24
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9200
Spacegroup name	I 21 21 21
Unit cell lengths	55.950, 81.690, 177.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.845 - 1.882
R-factor	0.1753
Rwork	0.173
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fd5
RMSD bond length	0.006
RMSD bond angle	1.018
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	88.960	40.973	1.980
High resolution limit [Å]	1.882	5.950	1.882
Rmerge		0.032	0.687
Number of reflections	33416
<I/σ(I)>	11.4	18.1	1
Completeness [%]	99.7	98.8	99.9
Redundancy	5	5.3	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	291	100mM tri-sodium ciitrate pH 5.2, 200mM ammonium sulphate, 21% PEG4000.