4IBQ

Human p53 core domain with hot spot mutation R273C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2006-04-27
Detector	ADSC QUANTUM 4r
Wavelength(s)	0.9310
Spacegroup name	P 1 21 1
Unit cell lengths	68.731, 69.719, 83.510
Unit cell angles	90.00, 90.10, 90.00

Refinement procedure

Resolution	29.143 - 1.800
R-factor	0.1349
Rwork	0.134
R-free	0.16310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tsr
RMSD bond length	0.006
RMSD bond angle	0.987
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (dev_1223)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.067	0.037	0.328
Number of reflections	71943
<I/σ(I)>	12.4
Completeness [%]	97.9	97.7	96.9
Redundancy	6.5	6.2	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	293	20% PEG 3350, 0.1M K-Acetate, 0.1M KF, pH 6.1, Vapor diffusion, hanging drop, temperature 293K