6UUF

Crystal structure of a Nudix Hydrolase from M. Smegmatis, RenU

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-09
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.93927
Spacegroup name	P 1 21 1
Unit cell lengths	34.198, 118.738, 36.432
Unit cell angles	90.00, 92.32, 90.00

Refinement procedure

Resolution	59.370 - 2.100
R-factor	0.1828
Rwork	0.180
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hhj
RMSD bond length	0.014
RMSD bond angle	1.601
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.370	10.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.072	0.051	0.177
Rmeas	0.087	0.061	0.218
Rpim	0.047	0.033	0.124
Number of reflections	15812	861	633
<I/σ(I)>	9
Completeness [%]	93.6	99.7	72.3
Redundancy	3.2	3.3	2.6
CC(1/2)		0.994	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	1-1.4 M NaAc, 0.1 M BTP pH 7.5