4YF6

Crystal structure of oxidised Rv1284

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-29
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95375
Spacegroup name	F 2 2 2
Unit cell lengths	101.068, 153.947, 157.174
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.391 - 3.002
R-factor	0.1714
Rwork	0.167
R-free	0.26010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ylk
RMSD bond length	0.009
RMSD bond angle	1.172
Data scaling software	SCALA
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.400	3.160
High resolution limit [Å]	3.000	3.000
Rmerge		0.581
Number of reflections	23594
<I/σ(I)>	3.5	1.3
Completeness [%]	99.7	99.4
Redundancy	14.9	14.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	0.2 M NaF, 20% PEG 3500, 0.1 M Bis-TRIS propane, soaked with 10 mM H2O2 for 10 min