4IBZ

Human p53 core domain with hot spot mutation R273C and second-site suppressor mutation T284R

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-07-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97590
Spacegroup name	P 1 21 1
Unit cell lengths	68.742, 70.413, 84.585
Unit cell angles	90.00, 89.92, 90.00

Refinement procedure

Resolution	26.692 - 1.920
R-factor	0.1807
Rwork	0.179
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aco chain A
RMSD bond length	0.007
RMSD bond angle	1.069
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]	27.000	27.000	1.950
High resolution limit [Å]	1.920	5.200	1.920
Rmerge	0.081	0.048	0.356
Number of reflections	60012
<I/σ(I)>	9.6
Completeness [%]	97.8	98.5	81.2
Redundancy	3.7	3.6	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	293	12% PEG 3350, 0.12M NH4-Acetate, pH 6.1, Vapor diffusion, hanging drop, temperature 293K