1NTF

Crystal Structure of Cimex Nitrophorin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-07-08
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	49.200, 42.100, 65.850
Unit cell angles	90.00, 95.88, 90.00

Refinement procedure

Resolution	21.000 - 1.800
R-factor	0.15323
Rwork	0.151
R-free	0.20000 *
Structure solution method	MAD
RMSD bond length	0.022 *
RMSD bond angle	2.000 *
Data reduction software	CrystalClear ((MSC/RIGAKU))
Data scaling software	d*TREK
Phasing software	MLPHARE
Refinement software	REFMAC (5.1.22)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.000	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.064 *	0.310 *
Number of reflections	24988
<I/σ(I)>	11	2.4
Completeness [%]	98.5	96.5
Redundancy	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.6	298	PEG 4000, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	22 (%)
2	1	reservoir		200 (mM)
3	1	reservoir	Tris-HCl	100 (mM)	pH8.6
4	1	drop	sodium citrate	20 (mM)	pH5.6, or 100mMpotassium phosphate pH8.1