2UXX

Human LSD1 Histone Demethylase-CoREST in complex with an FAD- tranylcypromine adduct

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-10-18
Detector	ADSC CCD
Spacegroup name	I 2 2 2
Unit cell lengths	120.798, 178.500, 235.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.000 - 2.740
R-factor	0.236
Rwork	0.235
R-free	0.26000
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.006
RMSD bond angle	1.070
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.200	2.780
High resolution limit [Å]	2.750	2.750
Rmerge	0.060	0.620
Number of reflections	65220
<I/σ(I)>	42	2
Completeness [%]	98.0	80.9
Redundancy	12.4	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	VAPOR DIFFUSION, SITTING DROP, 20 DEGREES. DROP: 0.8 MICRO-LITERS OF PROTEIN (10 MG/ML IN 25 MM HEPES, PH 7.4, 200 MM SODIUM CHLORIDE, 1 MM PMSF, 5 MM DTT) PLUS 0.8 MICRO-LITERS OF CRYSTALLIZATION SOLUTION (0.8 M LITHIUM SULFATE, 0.8 M AMMONIUM SULFATE, 0.4 M SODIUM CHLORIDE, 0.1 M SODIUM CITRATE, PH 5.6, 10 MM DTT). RESERVOIR: 1 ML OF CRYSTALLIZATION SOLUTION. CRYSTALS APPEARED WITHIN 12 HOURS AND GREW TO THEIR FINAL SIZE WITHIN 10 DAYS. CRYO-PROTECTION SOLUTION: RESERVOIR SOLUTION PLUS 23 PERCENT (V/V) GLYCEROL.