7QDQ

Crystal Structure of HDM2 in complex with Caylin-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-28
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	41.641, 43.675, 53.351
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.800 - 1.260
R-factor	0.1848
Rwork	0.182
R-free	0.21620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c5a
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.670	43.670	1.280
High resolution limit [Å]	1.260	6.920	1.260
Rmerge	0.117	0.100	1.539
Rmeas	0.123	0.105	1.657
Rpim	0.036	0.031	0.593
Total number of observations	256192	2219	6409
Number of reflections	26125	206	904
<I/σ(I)>	13.2	24.6	2.5
Completeness [%]	97.7	99.8	69.6
Redundancy	9.8	10.8	7.1
CC(1/2)	0.997	0.995	0.575

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	2.8M Ammonium Sulfate, 100mM MES