5ZVW

Structure of phAimR-Ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-20
Detector	DECTRIS PILATUS3 R 1M
Wavelength(s)	0.97776
Spacegroup name	P 32
Unit cell lengths	59.305, 59.305, 104.722
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.666 - 2.292
R-factor	0.2078
Rwork	0.204
R-free	0.24100
RMSD bond length	0.004
RMSD bond angle	0.596
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL2Map
Refinement software	PHENIX ((1.13rc2_2986: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.374
High resolution limit [Å]	2.292	2.292
Number of reflections	18223
<I/σ(I)>	20.7
Completeness [%]	96.7
Redundancy	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2 M NH4Ac, 0.1 M Bis-Tris pH 6.5, 25% PEG 3350