5U22

Structure of N2152 from Neocallimastix frontalis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-04
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	36.986, 104.793, 49.445
Unit cell angles	90.00, 110.06, 90.00

Refinement procedure

Resolution	28.955 - 1.748
R-factor	0.1576
Rwork	0.156
R-free	0.19420
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.861
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	SHELX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.780
High resolution limit [Å]	1.748	4.740	1.750
Rmerge	0.104	0.098	0.381
Number of reflections	35446
<I/σ(I)>	8.3
Completeness [%]	99.5	99.3	98.8
Redundancy	4.8	6	3.1
CC(1/2)		0.986	0.764

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	PEG 3350, Bis-Tris, Sodium Iodide