5DOK

Crystal structure of Tetrahymena p45C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-15
Detector	MAR CCD 165 mm
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	75.999, 89.051, 75.888
Unit cell angles	90.00, 108.64, 90.00

Refinement procedure

Resolution	35.953 - 2.300
R-factor	0.2256
Rwork	0.223
R-free	0.27600
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.291
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.127	0.066	0.734
Rmeas	0.140	0.074	0.808
Rpim	0.059	0.031	0.334
Total number of observations	107423
Number of reflections	20444
<I/σ(I)>	7.3
Completeness [%]	95.6	96.9	98.2
Redundancy	5.3	5	5.5
CC(1/2)		0.996	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.08 M Magnesium acetate tetrahydrate, 0.05 M Sodium cacodylate trihydrate pH 6.5, 15% v/v PEG 400