9GJR

Crystal Structure of the Leishmania Bromodomain LmxBDF5.1 in complex with OXFBD06

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-22
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.96770
Spacegroup name	P 21 21 21
Unit cell lengths	44.794, 49.646, 85.634
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.950 - 1.450
R-factor	0.1381
Rwork	0.136
R-free	0.16980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.697
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.790	1.470
High resolution limit [Å]	1.450	1.450
Rmerge	0.109	1.205
Rmeas	0.115	1.266
Rpim	0.035	0.382
Total number of observations	359193	17859
Number of reflections	34606	1669
<I/σ(I)>	12.6	2.3
Completeness [%]	99.9
Redundancy	10.4	10.7
CC(1/2)	0.998	0.823

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M Potassium thiocyanate, 30% PEG monomethyl ether 2,000