6L8N

Crystal structure of the K. lactis Rad5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 62 2 2
Unit cell lengths	188.539, 188.539, 198.231
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.856 - 3.600
R-factor	0.2062
Rwork	0.204
R-free	0.23940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Hg-soaked crystal structure of KlRad5
RMSD bond length	0.002
RMSD bond angle	0.406
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.660
High resolution limit [Å]	3.600	3.600
Rmerge	0.076	1.406
Number of reflections	24712	1226
<I/σ(I)>	30.88	1.525
Completeness [%]	99.0	99.8
Redundancy	6.9	7.2
CC(1/2)	0.997	0.524

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	0.1M HEPES pH 7.5, 0.9M Ammonium citrate tribasic pH 7.0