6KDQ

Crystal structure of human NRMT1 in complex with alpha-N-monomethylated human CENP-A peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	C 1 2 1
Unit cell lengths	114.724, 65.790, 69.003
Unit cell angles	90.00, 106.54, 90.00

Refinement procedure

Resolution	28.229 - 1.499
R-factor	0.1586
Rwork	0.158
R-free	0.18030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cvd
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.14rc3_3206)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.530
High resolution limit [Å]	1.499	4.070	1.500
Rmerge	0.077	0.065	0.361
Rmeas	0.089	0.074	0.436
Rpim	0.044	0.034	0.240
Number of reflections	77499	3983	3794
<I/σ(I)>	13.6
Completeness [%]	98.3	98.1	97.3
Redundancy	3.4	4.5	3.1
CC(1/2)		0.990	0.884

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.7	291	0.2M Ammonium acetate, 0.1M Sodium citrate dehydrate pH 5.7, 31% w/v PEG 4000