1OBO

W57L flavodoxin from Anabaena

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Collection date	2002-11-15
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	37.630, 73.100, 57.050
Unit cell angles	90.00, 102.58, 90.00

Refinement procedure

Resolution	20.000 * - 1.200
R-factor	0.186
Rwork	0.186
R-free	0.20300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1flv
RMSD bond length	0.005
RMSD bond angle	22.900 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.260
High resolution limit [Å]	1.200	1.200
Rmerge	0.038 *	0.139 *
Total number of observations	200831 *
Number of reflections	81435 *	11496 *
<I/σ(I)>	10.8	3.8
Completeness [%]	94.7	92.1
Redundancy	3.6	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6	295 *	pH 6.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	ammonium sulfate	3.5 (M)
3	1	reservoir	MES	0.1 (M)	pH6.0