7DBS

Crystal Structure Of Biotin Protein Ligase From Leishmania Major in complex with Biotin

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	2018-07-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979507
Spacegroup name	C 1 2 1
Unit cell lengths	115.918, 44.700, 54.472
Unit cell angles	90.00, 104.07, 90.00

Refinement procedure

Resolution	52.840 - 2.330
R-factor	0.2179
Rwork	0.217
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jhu
RMSD bond length	0.003
RMSD bond angle	0.668
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.840	2.372
High resolution limit [Å]	2.330	2.332
Rmerge	0.062	0.631
Rpim	0.027	0.258
Number of reflections	11509	567
<I/σ(I)>	13.2	2.4
Completeness [%]	98.1	100
Redundancy	6.6
CC(1/2)	0.996	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	19.5% PEG 3350, 200 mM Ammonium sulfate