4C5I

Crystal structure of MBTD1 YY1 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-03
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	70.360, 104.710, 135.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.807 - 2.586
R-factor	0.214
Rwork	0.213
R-free	0.23320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3feo
RMSD bond length	0.003
RMSD bond angle	0.632
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	2.650	2.650
High resolution limit [Å]	2.600	2.600
Rmerge	0.160	0.980
Number of reflections	31789
<I/σ(I)>	8.7	1.5
Completeness [%]	99.2	97.5
Redundancy	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1