4U6S

CtBP1 in complex with substrate phenylpyruvate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-01
Detector	RIGAKU SATURN 944
Wavelength(s)	0.99
Spacegroup name	P 64 2 2
Unit cell lengths	84.121, 84.121, 158.753
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.004 - 2.100
R-factor	0.1842
Rwork	0.182
R-free	0.22980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lce
RMSD bond length	0.004
RMSD bond angle	0.837
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge		0.510
Number of reflections	19617
<I/σ(I)>	30.46	6.39
Completeness [%]	98.4	94.64
Redundancy	28	17

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	200 mM Calcium Chloride, 100 mM Hepes pH 7.5, 2.5 mM NAD+