1OBV

Y94F flavodoxin from Anabaena

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-02-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	44.086, 57.146, 58.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 * - 2.100
R-factor	0.18
Rwork	0.180
R-free	0.24700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1flv
RMSD bond length	0.007 *
RMSD bond angle	1.500 *
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]	35.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.060	0.182 *
Total number of observations	111376 *
Number of reflections	12015 *	1138 *
<I/σ(I)>	11.4	2.1
Completeness [%]	98.0	96.2 *
Redundancy	3.1	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5 *	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	3.2 (M)
3	1	reservoir	Tris-HCl	0.1 (M)	pH7.5