6CQC

RNase P protein from Thermotoga maritima in complex with 1-(4-Fluorophenyl)-2-thiourea

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-12
Detector	MAR CCD 165 mm
Wavelength(s)	0.9785
Spacegroup name	P 1 21 1
Unit cell lengths	56.136, 64.264, 68.121
Unit cell angles	90.00, 101.63, 90.00

Refinement procedure

Resolution	46.286 - 1.540
R-factor	0.1811
Rwork	0.180
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nz0
RMSD bond length	0.007
RMSD bond angle	0.703
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.290	1.570
High resolution limit [Å]	1.540	1.540
Rmerge	0.044	0.237
Rmeas	0.053	0.287
Rpim	0.029	0.195
Number of reflections	67977	2724
<I/σ(I)>	19.5	3.7
Completeness [%]	96.9	78.5
Redundancy	3.2	2.9
CC(1/2)	0.993	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.8	292	P protein from T. maritima in 50 mM Tris-HCl pH 7.5, 0.2 mM EDTA was crystallized at 3 mg/mL in 12% PEG-1000, 100 mm sodium acetate pH 4.8 and 200 mM potassium sulfate