5Y7W

Crystal structure of the Nco-A1 PAS-B domain with YL-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-11
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9794
Spacegroup name	P 61
Unit cell lengths	62.501, 62.501, 137.177
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.919 - 2.250
R-factor	0.1662
Rwork	0.164
R-free	0.20360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oj5
RMSD bond length	0.007
RMSD bond angle	0.915
Data scaling software	HKL-2000
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.290
High resolution limit [Å]	2.250	2.250
Rmerge	0.128
Rmeas	0.131
Rpim	0.029
Number of reflections	14389	1431
<I/σ(I)>	31.1	8
Completeness [%]	99.9	99.51
Redundancy	20.7	21.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1M HEPES (pH7.5), 10% v/v isopropanol, 20% w/v polyethylene glycol 4000