4U6Q

CtBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-21
Detector	RIGAKU SATURN 944
Wavelength(s)	0.99
Spacegroup name	P 64 2 2
Unit cell lengths	84.000, 84.000, 159.472
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.300
R-factor	0.2063
Rwork	0.204
R-free	0.24860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lce
RMSD bond length	0.004
RMSD bond angle	0.836
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.059	0.491
Number of reflections	15450
<I/σ(I)>	31.3	5.48
Completeness [%]	99.7	99.3
Redundancy	18.1	12.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	75 mM CaCl2, 100 mM Hepes pH 7.5, and 1 mM NADH