4JKG

Open and closed forms of mixed T1789P+R1865A and R1865A human PRP8 RNase H-like domain with bound Mg ion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-22
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1158
Spacegroup name	P 21 21 21
Unit cell lengths	76.298, 77.949, 94.185
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.320 - 1.800
R-factor	0.1995
Rwork	0.198
R-free	0.23370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3enb
RMSD bond length	0.013
RMSD bond angle	1.496
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC (5.6.0117)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.053	0.019	0.472
Number of reflections	50401
<I/σ(I)>	13.8
Completeness [%]	94.9	96.5	96.8
Redundancy	3.9	3.8	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	298	15% PEG 4000, 300mM MgCl2, 100mM Tris, pH 7.5, vapor diffusion, temperature 298K