4IBT

Human p53 core domain with hot spot mutation R273H and second-site suppressor mutation T284R

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-06-06
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	68.928, 70.211, 84.010
Unit cell angles	90.00, 90.05, 90.00

Refinement procedure

Resolution	35.882 - 1.700
R-factor	0.1696
Rwork	0.170
R-free	0.18250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tsr
RMSD bond length	0.004
RMSD bond angle	0.864
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (dev_1186)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.000	36.000	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.054	0.030	0.537
Number of reflections	82678
<I/σ(I)>	12.7
Completeness [%]	93.6	98.9	89.3
Redundancy	8.4	8.4	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	293	20% PEG 3350, 0.2M NaF, pH 6.1, Vapor diffusion, hanging drop, temperature 293K