5ANS

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	2005-02-10
Detector	ADSC CCD
Spacegroup name	P 41 21 2
Unit cell lengths	45.327, 45.327, 151.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	152.500 - 1.600
R-factor	0.20698
Rwork	0.205
R-free	0.24194
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.058
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]	33.700	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.070	0.300
Number of reflections	21613
<I/σ(I)>	17	5.6
Completeness [%]	99.3	99.5
Redundancy	6.9	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1