6YQD

Human histidine triad nucleotide-binding protein 2 (hHINT2) refined to 1.41 A in P212121 space group

This is a non-PDB format compatible entry.

Replaces:  4NK0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-09
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	37.921, 74.113, 77.249
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.480 - 1.407
Rwork	0.100
R-free	0.14280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tw2
RMSD bond length	0.017
RMSD bond angle	2.008
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	MOLREP (11.6.04)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.250	1.430
High resolution limit [Å]	1.407	1.407
Rmerge	0.073	0.715
Rmeas	0.079	0.846
Rpim	0.030	0.439
Number of reflections	42522	1560
<I/σ(I)>	18.2	2.1
Completeness [%]	98.8	75.7
Redundancy	12.5
CC(1/2)	0.999	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	281	8 % w/v PEG8000, 0.1 M Tris-HCl