5MCW

New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-LWC2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.88560
Spacegroup name	P 21 21 2
Unit cell lengths	111.403, 68.408, 69.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.815 - 1.897
R-factor	0.2024
Rwork	0.200
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tsr
RMSD bond length	0.006
RMSD bond angle	0.867
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (dev-2276_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.897	5.160	1.897
Rmerge	0.143	0.098	0.305
Number of reflections	40479
<I/σ(I)>	3.4
Completeness [%]	94.5	99.3	75.7
Redundancy	6.1	6	5.2
CC(1/2)		0.990	0.954

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8.8	292	0.02 M Citric acid, 0.08 M BIS-TRIS propane, 18% w/v Polyethylene glycol 3,350