4IBU

Human p53 core domain with hot spot mutation R273C and second-site suppressor mutation T284R in sequence-specific 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	2008-02-25
Detector	ADSC QUANTUM 4
Spacegroup name	P 1
Unit cell lengths	54.537, 58.158, 77.968
Unit cell angles	82.96, 87.78, 73.57

Refinement procedure

Resolution	30.118 - 1.700
R-factor	0.1645
Rwork	0.163
R-free	0.19710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ac0 chain A
RMSD bond length	0.006
RMSD bond angle	1.166
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.720
High resolution limit [Å]	1.690	4.590	1.690
Rmerge	0.047	0.042	0.355
Number of reflections	96978
<I/σ(I)>	15
Completeness [%]	94.7	98.2	64.4
Redundancy	3.9	3.8	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	293	1:2 PROTEIN/DNA RATIO, 14% PEG 3350, 0.14M Li-Acetate, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K