6JHU

Crystal Structure Of Biotin Protein Ligase From Leishmania Major in complex with Biotinyl-5-AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	277.15
Detector technology	PIXEL
Collection date	2018-07-22
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979507
Spacegroup name	C 1 2 1
Unit cell lengths	116.848, 46.621, 54.573
Unit cell angles	90.00, 104.57, 90.00

Refinement procedure

Resolution	52.820 - 1.970
R-factor	0.2181
Rwork	0.217
R-free	0.24780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ej9 2dxu
RMSD bond length	0.006
RMSD bond angle	0.906
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.820	2.001
High resolution limit [Å]	1.970	1.970
Rmerge	0.054	0.928
Rmeas		1.000
Rpim	0.023	0.383
Number of reflections	20353	987
<I/σ(I)>	14.3
Completeness [%]	99.7	99.8
Redundancy	6.6
CC(1/2)	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	19% PEG 3350, 200 mM Ammonium sulfate