4LCE

CtBP1 in complex with substrate MTOB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-20
Detector	ADSC QUANTUM 315
Wavelength(s)	0.99
Spacegroup name	P 64 2 2
Unit cell lengths	88.970, 88.970, 161.538
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.920 - 2.380
R-factor	0.2023
Rwork	0.200
R-free	0.23860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.349
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.7.0025)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.470
High resolution limit [Å]	2.380	5.130	2.380
Rmerge	0.065	0.039	0.390
Number of reflections	15565
<I/σ(I)>	16.7
Completeness [%]	97.8	91.6	99.9
Redundancy	10.7	9.1	11.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	250 mM magnesium chloride, 140 mM sodium formate, 100 mM hepes, 2.5 mM NAD+, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K