4LAB

Crystal structure of the catalytic domain of RluB

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	2011-02-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.068830
Spacegroup name	P 43 21 2
Unit cell lengths	82.390, 82.390, 74.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.259 - 2.504
R-factor	0.2322
Rwork	0.231
R-free	0.26050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gml
RMSD bond length	0.006
RMSD bond angle	0.917
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.259	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.099	1.530
Number of reflections	9324
<I/σ(I)>	21.52	2.6
Completeness [%]	99.4	94.2
Redundancy	18.9	17.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	289	0.1M tri-Sodium citrate pH 5.6, 20% isopropanol, 15% PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 289K