4IBV

Human p53 core domain with hot spot mutation R273C and second-site suppressor mutation S240R in sequence-specific complex with DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8726
Spacegroup name	C 1 2 1
Unit cell lengths	137.631, 50.302, 34.008
Unit cell angles	90.00, 93.46, 90.00

Refinement procedure

Resolution	47.235 - 2.100
R-factor	0.1648
Rwork	0.161
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ac0 chain A
RMSD bond length	0.007
RMSD bond angle	1.210
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (dev_1405)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.082	0.045	0.255
Number of reflections	13264
<I/σ(I)>	8.8
Completeness [%]	96.6	99.6	83.6
Redundancy	6.2	7.3	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	293	1:2.4 PROTEIN/DNA RATIO, 16% PEG 3350, 0.18M NH4F, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K