3MJZ

The crystal structure of native FG41 MSAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-06-22
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	88.955, 94.692, 190.701
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.020 - 2.400
R-factor	0.204
Rwork	0.200
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2aal
RMSD bond length	0.013
RMSD bond angle	1.493
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CaspR
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.020	50.000	2.090
High resolution limit [Å]	2.020	4.350	2.020
Rmerge	0.154	0.063	0.673
Number of reflections	54052
<I/σ(I)>	6.9
Completeness [%]	85.7	99.8	86.7
Redundancy	9	9.6	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Sitting drop	7.5	277	3 micro liter of protein solution (20.5 mg/mL in 10 mM sodium phosphate buffer, pH 8.0) mixed with 3 micro liter crystallization solution (0.1 M HEPES-Na buffer, pH 7.5, 2% v/v polyethylene glycol 400, 2.0 M ammonium sulfate), Sitting drop, temperature 277K