6KDR

Crystal structure of human NRMT2 in complex with human centromere protein B 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	2019-04-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	70.548, 96.534, 100.213
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.473 - 2.112
R-factor	0.1894
Rwork	0.178
R-free	0.20470
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	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.120	0.054	1.361
Rmeas	0.127	0.058	1.445
Rpim	0.043	0.021	0.478
Total number of observations	344656
Number of reflections	39673	2164	1953
<I/σ(I)>	9.7
Completeness [%]	99.8	99.6	99.3
Redundancy	8.7	7.6	8.7
CC(1/2)		0.998	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.3	291	0.1M Tris pH 8.3, 6% w/v Polyethylene glycol 8000