6V8A

Human CtBP1 (28-375) in complex with AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	Cu FINE FOCUS
Temperature [K]	100
Detector technology	CCD
Collection date	2019-07-03
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 64 2 2
Unit cell lengths	89.171, 89.171, 164.170
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.550 - 2.350
R-factor	0.2052
Rwork	0.203
R-free	0.25790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cdf
RMSD bond length	0.002
RMSD bond angle	0.459
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (v1.15)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.390
High resolution limit [Å]	2.350	6.370	2.350
Rmerge	0.107	0.039	0.985
Total number of observations	157772
Number of reflections	16758	959	771
<I/σ(I)>	6.4
Completeness [%]	99.7	97.9	96
Redundancy	9.4	11.2	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	100 mM HEPES, pH 7.5, 80-200 mM calcium chloride, 2-6% PEG400