4UXN

LSD1(KDM1A)-CoREST in complex with Z-Pro derivative of MC2580

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14
Synchrotron site	ESRF
Beamline	ID14
Temperature [K]	100
Spacegroup name	I 2 2 2
Unit cell lengths	118.980, 177.760, 233.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	141.490 - 2.850
R-factor	0.20633
Rwork	0.206
R-free	0.21509
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v1d
RMSD bond length	0.021
RMSD bond angle	2.164
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	2.930
High resolution limit [Å]	2.850	2.850
Rmerge	0.090	0.980
Number of reflections	57587
<I/σ(I)>	6.9	1.4
Completeness [%]	99.4	99.6
Redundancy	3.1	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		PH 6.5