6L4H

Crystal structure of human NDRG3 C30S mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2018-12-04
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 31 2 1
Unit cell lengths	99.759, 99.759, 332.710
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.824 - 3.400
Rwork	0.241
R-free	0.27740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6l4b
RMSD bond length	0.003
RMSD bond angle	1.246
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.460
High resolution limit [Å]	3.400	9.210	3.400
Rmerge	0.103	0.043	0.732
Rmeas	0.111	0.045	0.787
Rpim	0.039	0.015	0.275
Total number of observations	177018
Number of reflections	26798	1519	1311
<I/σ(I)>	6.4
Completeness [%]	97.7	98.4	97.5
Redundancy	6.6	8.1	6.7
CC(1/2)		0.998	0.826

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	200 mM sodium citrate tribasic dehydrate, 20% PEG 3350