5BUA

Lysine 120-acetylated P53 DNA binding domain in a complex with DNA.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.932
Spacegroup name	C 1 2 1
Unit cell lengths	137.252, 48.892, 34.014
Unit cell angles	90.00, 92.60, 90.00

Refinement procedure

Resolution	33.979 - 1.812
R-factor	0.1651
Rwork	0.162
R-free	0.21350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kmd
RMSD bond length	0.007
RMSD bond angle	1.282
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.3)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.074	0.041	0.489
Rmeas	0.082	0.045	0.584
Rpim	0.036	0.019	0.313
Total number of observations	92223
Number of reflections	18564
<I/σ(I)>	10.1
Completeness [%]	90.4	99.9	51.1
Redundancy	5	5.1	3
CC(1/2)		0.998	0.817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.1	286	0.2M Ammonium fluoride; 20% PEG 3350