5CVD

Crystal structure of human NRMT1 in complex with alpha-N-dimethylated 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	2014-11-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97914
Spacegroup name	C 1 2 1
Unit cell lengths	114.839, 66.245, 68.998
Unit cell angles	90.00, 106.69, 90.00

Refinement procedure

Resolution	29.612 - 1.300
R-factor	0.1331
Rwork	0.132
R-free	0.16000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ex4
RMSD bond length	0.006
RMSD bond angle	1.155
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.320
High resolution limit [Å]	1.300	3.530	1.300
Rmerge	0.108	0.068	0.631
Rmeas	0.122	0.077	0.711
Rpim	0.055	0.035	0.326
Total number of observations	558514
Number of reflections	119380
<I/σ(I)>	8.6
Completeness [%]	98.3	99.1	96.7
Redundancy	4.7	4.7	4.6
CC(1/2)		0.992	0.788

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	291	0.2 M (NH4)Ac, 0.1 M Sodium citrate tribasic dihydrate, 28%(w/v) PEG 4000