6ZMM

Crystal structure of human NDRG1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	80
Detector technology	PIXEL
Collection date	2020-05-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9762
Spacegroup name	P 43 21 2
Unit cell lengths	108.570, 108.570, 119.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.550 - 2.960
R-factor	0.2699
Rwork	0.269
R-free	0.29460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xmq
RMSD bond length	0.002
RMSD bond angle	0.577
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.550	3.070
High resolution limit [Å]	2.960	2.960
Number of reflections	14800	1405
<I/σ(I)>	4.33	1.42
Completeness [%]	95.7
Redundancy	4.26
CC(1/2)	0.980	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		285.15	1.4 M sodium malonate (pH 6.25), 10 mM TCEP