5Z4Y

Crystal structure of PaCysB NTD domain with space group P4

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	2016-12-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9725
Spacegroup name	P 43 21 2
Unit cell lengths	44.261, 44.261, 209.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.985 - 2.401
R-factor	0.2066
Rwork	0.204
R-free	0.25210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ixc
RMSD bond length	0.007
RMSD bond angle	0.968
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge		0.305
Number of reflections	8694
<I/σ(I)>	24
Completeness [%]	97.3	86.5
Redundancy	14.4	8.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.2M POTASSIUM SODIUM TARTRATE,20% PEG3350