6MV2

2.05A resolution structure of the CS-b5R domains of human Ncb5or (NADP+ form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	56.265, 68.842, 57.630
Unit cell angles	90.00, 97.43, 90.00

Refinement procedure

Resolution	36.336 - 2.050
R-factor	0.1768
Rwork	0.174
R-free	0.22370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2eix
RMSD bond length	0.009
RMSD bond angle	1.100
Data reduction software	XDS
Data scaling software	Aimless (0.5.29)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.970	43.970	2.110
High resolution limit [Å]	2.050	8.940	2.050
Rmerge	0.077	0.030	0.601
Total number of observations	92745
Number of reflections	27467	355	2120
<I/σ(I)>	11.8
Completeness [%]	99.8	98.6	99.9
Redundancy	3.4	3.2	3.4
CC(1/2)	0.996	0.982	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	10% (w/v) PEG 6000, 0.1 M Hepes, 0.3 M NDSB-195