5HYL

Crystal structure of DR2231_E47A mutant in complex with dUMPNPP and magnesium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-03-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 21 21 2
Unit cell lengths	149.063, 77.822, 52.713
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.037 - 1.800
R-factor	0.1625
Rwork	0.160
R-free	0.20510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yfc
RMSD bond length	0.006
RMSD bond angle	0.820
Data reduction software	XDS
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.037	43.037	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge		0.028	0.242
Rmeas	0.059	0.032	0.273
Rpim	0.027	0.015	0.123
Total number of observations	264780	8454	38874
Number of reflections	57191
<I/σ(I)>	17	31.3	5.4
Completeness [%]	99.2	98.4	99.1
Redundancy	4.6	4.3	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	293	Lithium Acetate, PEG3350