6BT2

Structure of the human Nocturnin catalytic domain with bound sulfate anion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-24
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	62.004, 69.437, 153.496
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.231 - 2.411
R-factor	0.1644
Rwork	0.161
R-free	0.22410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	unpublished structure
RMSD bond length	0.008
RMSD bond angle	1.020
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.200	2.419
High resolution limit [Å]	2.400	2.411
Rmerge	0.104	0.461
Rmeas	0.110	0.503
Number of reflections	26012
<I/σ(I)>	13.82
Completeness [%]	98.9	90.7
Redundancy	8.9	5.5
CC(1/2)		0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	Adenosine 5' Monophosphate, Magnesium Chloride, HEPES, Isopropanol, Sodium Acetate, PEG 4000