7VSX

Crystal structure of QL-nanoKAZ (Reverse mutant of nanoKAZ with L18Q and V27L)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-18
Detector	DECTRIS PILATUS 12M
Wavelength(s)	1
Spacegroup name	I 2 2 2
Unit cell lengths	60.810, 76.000, 103.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.482 - 1.698
R-factor	0.1836
Rwork	0.182
R-free	0.20660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b0u
RMSD bond length	0.014
RMSD bond angle	1.296
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.482	47.482	1.800
High resolution limit [Å]	1.698	5.070	1.700
Rmerge	0.070	0.050	0.887
Rmeas	0.076	0.054	0.956
Number of reflections	26866	1103	4211
<I/σ(I)>	15.08	34.74	2.24
Completeness [%]	99.7	99.6	98.5
Redundancy	7.319	6.848	7.215
CC(1/2)	0.998	0.997	0.936

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	100 mM MES (pH6.5) 1.8-1.9 M MgSO4