5MG7

New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-p53R2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-30
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97630
Spacegroup name	C 1 2 1
Unit cell lengths	137.621, 49.804, 68.089
Unit cell angles	90.00, 93.34, 90.00

Refinement procedure

Resolution	27.768 - 1.450
R-factor	0.1724
Rwork	0.171
R-free	0.20210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDBID 2AC0
RMSD bond length	0.009
RMSD bond angle	1.170
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.6.1)
Refinement software	PHENIX (dev_2264)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.480
High resolution limit [Å]	1.450	3.940	1.450
Rmerge	0.091	0.048	1.011
Number of reflections	82061
<I/σ(I)>	6.6
Completeness [%]	99.9	99.2	98.5
Redundancy	6	6.2	4.4
CC(1/2)		0.998	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7	292	0.07 M ammonium tartrate dibasic, 8.4% Polyethylene glycol 3,350