1NPR

CRYSTAL STRUCTURE OF AQUIFEX AEOLICUS NUSG IN C222(1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	2000-10-15
Detector	MARRESEARCH
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	65.950, 124.580, 83.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 * - 2.220 *
Rwork	0.236
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1npp
RMSD bond length	0.008
RMSD bond angle	23.900 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000 *	2.260
High resolution limit [Å]	2.220 *	2.220 *
Rmerge	0.058	0.619
Number of reflections	16961
<I/σ(I)>	30	1.9
Completeness [%]	96.3	85.2
Redundancy	4.11 *	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *	291	Andrykovitch, M., (2002) Acta Crystallogr., D58, 2157. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)	pH8.0
3	1	drop		200 (mM)
4	1	drop	EDTA	2 (mM)
5	1	drop	dithiothreitol	10 (mM)
6	1	reservoir	sodium HEPES	0.085 (M)	pH7.5
7	1	reservoir	glycerol	15 (%)
8	1	reservoir	2-propanol	11 (%)
9	1	reservoir	PEG4000	20 (%)