2WGX

HUMAN P53 CORE DOMAIN MUTANT M133L-V203A-Y236F-N239Y-T253I-N268D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	65.328, 71.075, 104.915
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.607 - 1.750
R-factor	0.171
Rwork	0.170
R-free	0.19860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uol
RMSD bond length	0.008
RMSD bond angle	1.178
Phasing software	CNS
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.400	1.840
High resolution limit [Å]	1.750	1.750
Rmerge	0.080	0.280
Number of reflections	48639
<I/σ(I)>	17.7	5.5
Completeness [%]	97.6	92.4
Redundancy	6.4	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	294	SITTING DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML IN 25 MM SODIUM PHOSPHATE PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES PH 7.2, 19 % PEG 4000, 5 MM DTT.