6IJ1

Crystal structure of a protein from Actinoplanes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-26
Detector	RAYONIX MX-300
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	73.471, 73.471, 124.234
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.718 - 1.521
R-factor	0.1601
Rwork	0.160
R-free	0.17530
Structure solution method	SAD
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.570
High resolution limit [Å]	1.520	3.270	1.520
Rmerge	0.067	0.048	0.506
Rmeas	0.071	0.051	0.547
Rpim	0.024	0.017	0.203
Total number of observations	533592
Number of reflections	59674	6303	5525
<I/σ(I)>	14.6
Completeness [%]	98.9	99.2	93.1
Redundancy	8.9	8.8	7
CC(1/2)		0.998	0.871

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	0.75M K/Na Tartrate, 0.3M Imidazole pH 8.0, 0.4M Nac