5TWU

Structure of Maternal Embryonic Leucine Zipper Kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	65.126, 78.599, 79.110
Unit cell angles	90.00, 110.60, 90.00

Refinement procedure

Resolution	48.171 - 2.603
R-factor	0.1672
Rwork	0.161
R-free	0.23460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bl1
RMSD bond length	0.008
RMSD bond angle	1.156
Data reduction software	HKL
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.690
High resolution limit [Å]	2.600	5.600	2.600
Rmerge	0.073	0.033	0.632
Total number of observations	85366
Number of reflections	22978
<I/σ(I)>	15.2
Completeness [%]	99.8	98.7	100
Redundancy	3.7	3.5	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 4000