1JB5

CRYSTAL STRUCTURE OF NTF2 M118E MUTANT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX7.2
Synchrotron site	SRS
Beamline	PX7.2
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Wavelength(s)	1.488
Spacegroup name	P 1 21 1
Unit cell lengths	34.680, 78.210, 41.430
Unit cell angles	90.00, 104.55, 90.00

Refinement procedure

Resolution	30.000 - 2.300
R-factor	0.203
Rwork	0.203
R-free	0.28900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jb4
RMSD bond length	0.007
RMSD bond angle	1.300 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.098	0.272
Total number of observations	73003 *
Number of reflections	9197
<I/σ(I)>	9.6
Completeness [%]	96.2	96.2
Redundancy	2.5	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	291	PEG, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2.5 (mg/ml)
2	1	reservoir	sodium acetate	100 (mM)	pH4.5
3	1	reservoir		50 (mM)
4	1	reservoir	PEG4000	26 (%)