7ABY

Crystal structure of iLOV-Q489K mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-27
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9194
Spacegroup name	P 43 21 2
Unit cell lengths	40.756, 40.756, 131.791
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.937 - 1.450
R-factor	0.1576
Rwork	0.156
R-free	0.18470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ees
Data reduction software	XDS (VERSION Jun 1, 2017 BUILT=20170601)
Data scaling software	Aimless (0.5.32)
Phasing software	MOLREP (Vers 11.5.05; 04.08.2017)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.930	43.930	1.480
High resolution limit [Å]	1.450	7.810	1.450
Rmerge	0.070	0.032	1.107
Rmeas	0.074	0.035	1.170
Rpim	0.025	0.013	0.376
Total number of observations	186700	1295	9847
Number of reflections	20710	190	1030
<I/σ(I)>	14.3	38.1	2.1
Completeness [%]	100.0	99.7	100
Redundancy	9	6.8	9.6
CC(1/2)	0.999	0.999	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	292.15	0.1 M sodium acetate, 25 % (w/v) PEG 1000