5ANT

Potent and selective inhibitors of MTH1 probe its role in cancer cell survival

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-11
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 2
Unit cell lengths	105.074, 120.115, 53.058
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	120.000 - 2.000
R-factor	0.216
Rwork	0.214
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.203
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.200	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.089	0.323
Number of reflections	44330
<I/σ(I)>	5.6	2.2
Completeness [%]	99.7	99.9
Redundancy	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1