5Y69

Crystal structure of the L52M mutant of AcrIIA1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-23
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97921
Spacegroup name	P 21 21 21
Unit cell lengths	55.049, 56.529, 90.326
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.916 - 1.850
R-factor	0.1896
Rwork	0.185
R-free	0.23620
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.962
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]	50.000	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.078	0.765
Number of reflections	24517
<I/σ(I)>	21.8	2.5
Completeness [%]	100.0	100
Redundancy	7.5	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	0.1 M HEPES pH 7.0, 6 % (w/v) PEG4000, 0.2 M NaCl