2FWV

Crystal Structure of Rv0813

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2003-06-26
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97895
Spacegroup name	I 41 2 2
Unit cell lengths	65.836, 65.836, 239.714
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.440 - 1.700
R-factor	0.183
Rwork	0.181
R-free	0.22300
Structure solution method	SAD with data collected on Se-Met crystal at 0.97895 A.
RMSD bond length	0.014
RMSD bond angle	1.533
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE (2.03)
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.833	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.070	0.316
Number of reflections	29663
<I/σ(I)>	19.6	5.2
Completeness [%]	100.0	100
Redundancy	6.6	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	7.5	298	NH4(2)SO4, pH 7.5, hanging drop, temperature 298K
1	hanging drop	7.5	298	NH4(2)SO4, pH 7.5, hanging drop, temperature 298K
1	hanging drop	7.5	298	NH4(2)SO4, pH 7.5, hanging drop, temperature 298K