3Q01

An induced fit mechanism regulates p53 DNA binding kinetics to confer sequence specificity

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	85
Detector technology	CCD
Collection date	2007-12-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.87260
Spacegroup name	P 21 21 21
Unit cell lengths	69.678, 73.817, 106.685
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.2517
Rwork	0.250
R-free	0.28160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 1TUP 1c26
RMSD bond length	0.005
RMSD bond angle	1.235
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.860	2.210
High resolution limit [Å]	2.100	2.100
Number of reflections	32812
<I/σ(I)>	12.2	6.1
Completeness [%]	100.0	100
Redundancy		7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	0.2M ammonium acetate, 0.1M HEPES, pH 7.5, 45% v/v 2-Methyl-2,4-pentanediol, VAPOR DIFFUSION, HANGING DROP, temperature 277K