5E5P

Wild type I-SmaMI in the space group of C121

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-04
Detector	RIGAKU SATURN 70
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	148.327, 58.230, 42.046
Unit cell angles	90.00, 96.08, 90.00

Refinement procedure

Resolution	27.100 - 2.650
R-factor	0.17919
Rwork	0.175
R-free	0.26460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lox
RMSD bond length	0.019
RMSD bond angle	2.105
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0124)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.100	2.730
High resolution limit [Å]	2.640	2.640
Rmerge		0.149
Number of reflections	10491
<I/σ(I)>	22	7.5
Completeness [%]	98.5	87
Redundancy	3.7	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	20% PEG8K, HEPES