4TXK

Construct of MICAL-1 containing the monooxygenase and calponin homology domains

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	80
Detector technology	CCD
Collection date	2013-04-14
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	70.233, 50.174, 96.966
Unit cell angles	90.00, 101.16, 90.00

Refinement procedure

Resolution	26.806 - 2.878
R-factor	0.206
Rwork	0.203
R-free	0.27210
RMSD bond length	0.010
RMSD bond angle	1.289
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.820	50.000	2.870
High resolution limit [Å]	2.820	7.650	2.820
Rmerge	0.184	0.057	0.640
Total number of observations	52018
Number of reflections	14602
<I/σ(I)>	4.2
Completeness [%]	96.2	97.2	65.1
Redundancy	3.6	3.5	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 2000 MME, HEPES buffer