4QPP

The Crystal Structure of Human HMT1 hnRNP methyltransferase-like protein 6 in complex with compound DS-421 (2-{4-[3-CHLORO-2-(2-METHOXYPHENYL)-1H-INDOL-5-YL]PIPERIDIN-1-YL}-N-METHYLETHANAMINE

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	2014-03-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97856
Spacegroup name	P 42 2 2
Unit cell lengths	133.884, 133.884, 133.419
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.520
R-factor	0.1915
Rwork	0.191
R-free	0.23450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hc4
RMSD bond length	0.005
RMSD bond angle	1.117
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.560
High resolution limit [Å]	2.520	6.830	2.520
Rmerge	0.133	0.032	0.904
Number of reflections	41807
<I/σ(I)>	6.1
Completeness [%]	100.0	100	100
Redundancy	8.1	7.3	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	291	2.0 M NaForm, 0.1 M NaoAc, pH 4.6, vapor diffusion hanging drop, temperature 291K, VAPOR DIFFUSION, HANGING DROP