1B1E

CRYSTAL STRUCTURE OF HUMAN ANGIOGENIN VARIANT K40Q

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	289
Detector technology	AREA DETECTOR
Detector	SIEMENS
Spacegroup name	C 2 2 21
Unit cell lengths	83.660, 120.030, 37.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.229
Rwork	0.229
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ang
RMSD bond length	0.010
RMSD bond angle	28.000 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.055	0.248
Total number of observations	104187 *
Number of reflections	13155
<I/σ(I)>	4.9	1.3
Completeness [%]	98.3	94.9
Redundancy	7.9	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5.2	16 *	pH 5.2, temperature 289K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	SODIUM CITRATE
2	1	1	SODIUM POTASIUM TARTARATE
3	1	1	PEG 4000
4	1	2	SODIUM CITRATE
5	1	2	SODIUM POTASIUM TARTARATE
6	1	2	PEG 4000

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	sodium citrate	10 (mM)
3	1	drop	sodium potassium tartrate	0.1 (M)
4	1	drop	PEG6000	5 (%)
5	1	reservoir	sodium citrate	20 (mM)
6	1	reservoir	sodium potassium tartrate	0.2 (M)
7	1	reservoir	PEG6000	10 (%)