4JXK

Crystal Structure of Oxidoreductase ROP_24000 (Target EFI-506400) from Rhodococcus opacus B4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-21
Detector	ADSC QUANTUM 315
Spacegroup name	P 43 21 2
Unit cell lengths	94.333, 94.333, 150.159
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.040 - 2.000
R-factor	0.18607
Rwork	0.185
R-free	0.23382
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xa0
RMSD bond length	0.009
RMSD bond angle	1.287
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.066
Number of reflections	46857
<I/σ(I)>	9.2	1.7
Completeness [%]	99.9	100
Redundancy	15.9	15.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.1 M MES/NaOH, pH 6.5, 30% PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 298K