1DX9

W57A Apoflavodoxin from Anabaena

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1999-07-15
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	74.140, 55.520, 75.180
Unit cell angles	90.00, 107.04, 90.00

Refinement procedure

Resolution	8.000 - 2.050
R-factor	0.16 *
Rwork	0.169
R-free	0.25600 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ftg
RMSD bond length	0.006 *
RMSD bond angle	2.031 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.041 *	0.065 *
Total number of observations	129267 *
Number of reflections	36277
<I/σ(I)>	17.1	13.3
Completeness [%]	93.0 *	94.4 *
Redundancy	3.7	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6		3.2 M AMMONIUM SULPHATE, 100 MM NA.K-PHOSPHATE, PH 6.0. PROTEIN CONCENTRATION 16 MG/ML

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	16 (mg/ml)
2	1	drop	ammonium sulfate	3.2 (M)
3	1	drop	sodium potassium phosphate	100 (mM)