4IBW

Human p53 core domain with hot spot mutation R273H 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
Wavelength(s)	0.9330
Spacegroup name	C 1 2 1
Unit cell lengths	137.562, 49.923, 34.239
Unit cell angles	90.00, 93.68, 90.00

Refinement procedure

Resolution	34.320 - 1.791
R-factor	0.1441
Rwork	0.142
R-free	0.18760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ac0 chain A
RMSD bond length	0.006
RMSD bond angle	1.146
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.820
High resolution limit [Å]	1.790	4.860	1.790
Rmerge	0.117	0.047	0.536
Number of reflections	21929
<I/σ(I)>	6.7
Completeness [%]	100.0	100	100
Redundancy	7.4	6.9	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	293	1:2.4 PROTEIN/DNA RATIO, 14% PEG 3350, 0.14M NH4F, pH 6.1, Vapor diffusion, hanging drop, temperature 293K