7Q2U

The crystal structure of the HINT1 Q62A mutant.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 41
Unit cell lengths	112.891, 112.891, 43.634
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.733 - 2.270
Rwork	0.164
R-free	0.22020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tw2
RMSD bond length	0.010
RMSD bond angle	1.698
Data reduction software	XDS (20190315)
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP (11.7.02)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.630	2.340
High resolution limit [Å]	2.270	2.270
Rmerge	0.190	1.621
Rpim	0.078	0.660
Number of reflections	25856	2340
<I/σ(I)>	10.1	2
Completeness [%]	100.0	100
Redundancy	13.3	13.7
CC(1/2)	0.997	0.748

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	281	16% (w/v) PEG3350, 0.2 M sodium citrate, 0.1 M sodium cacodylate pH 7.0