4XLO

Crystal Structure of EncM (crystallized with 4 mM NADPH)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	C 2 2 2
Unit cell lengths	166.060, 175.020, 132.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.690 - 1.670
R-factor	0.1874
Rwork	0.185
R-free	0.22980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bvg
RMSD bond length	0.021
RMSD bond angle	2.107
Data reduction software	iMOSFLM
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall
Low resolution limit [Å]	29.690
High resolution limit [Å]	1.670
Rmerge	0.155
Number of reflections	219275
<I/σ(I)>	28.8
Completeness [%]	98.3
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	5 mg/mL EncM in 4 mM NADPH, 5 mM TES sodium, pH 7.7, 10% v/v glycerol, reservoir: 0.1 M HEPES sodium, pH 7.5, 0.2 M calcium acetate, 20% w/v PEG3350