4YPR

Crystal Structure of D144N MutY bound to its anti-substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	P 61
Unit cell lengths	105.272, 105.272, 235.374
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	85.014 - 2.590
R-factor	0.1724
Rwork	0.169
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rrq
RMSD bond length	0.012
RMSD bond angle	1.446
Data reduction software	XDS
Data scaling software	SCALA (0.1.27)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	117.690	2.730
High resolution limit [Å]	2.590	2.590
Rmerge	0.119	1.117
Rpim	0.054
Total number of observations	262741
Number of reflections	45851
<I/σ(I)>	15.5	1.8
Completeness [%]	100.0	100
Redundancy	5.7	5.8
CC(1/2)	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.6	298	100 mM Tris, pH 8.6, 1.75 M (NH4)2SO4