1F4M

P3(2) CRYSTAL STRUCTURE OF ALA2ILE2-6, A VERSION OF ROP WITH A REPACKED HYDROPHOBIC CORE AND A NEW FOLD.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-04-30
Detector	RIGAKU RAXIS IV
Spacegroup name	P 32
Unit cell lengths	73.092, 73.092, 65.921
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.660 - 2.250
R-factor	0.233 *
Rwork	0.233
R-free	0.28200
RMSD bond length	0.006
RMSD bond angle	1.000
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.660	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.088	0.238
Number of reflections	20062
<I/σ(I)>	7.8
Completeness [%]	87.2	63.5 *
Redundancy	4.8	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	MPD, calcium chloride, sodium HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	18 (mg/ml)
2	1	reservoir	MPD	18-22 (%)
3	1	reservoir		50-100 (mM)
4	1	reservoir	sodium HEPES	100 (mM)