6N9L

Crystal structure of T. maritima UvrA d117-399 with ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	98.2
Detector technology	PIXEL
Collection date	2016-03-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	143.134, 81.379, 90.416
Unit cell angles	90.00, 125.30, 90.00

Refinement procedure

Resolution	38.049 - 2.010
R-factor	0.1701
Rwork	0.169
R-free	0.20130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ux8
RMSD bond length	0.009
RMSD bond angle	1.076
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.049	2.082
High resolution limit [Å]	2.010	2.010
Number of reflections	51809	4575
<I/σ(I)>	8.42	1.09
Completeness [%]	91.8	81.93
Redundancy	3.9	3.5
CC(1/2)	0.994	0.525

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	100 mM HEPES-NaOH, pH 7.5 and 22w/v PEG 3350
1	VAPOR DIFFUSION, SITTING DROP		277.15	100 mM HEPES-NaOH, pH 7.5 and 22w/v PEG 3350