1IMV

2.85 A crystal structure of PEDF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2001-04-06
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	176.174, 62.514, 45.406
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.740 - 2.850
R-factor	0.188 *
Rwork	0.188
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qlp
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.740	3.030
High resolution limit [Å]	2.850	2.850
Rmerge	0.127	0.370
Total number of observations	152138 *
Number of reflections	11214
<I/σ(I)>	8.5
Completeness [%]	92.1	65.4
Redundancy	12.7	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	18 *	0.2M ammonium fluoride, 20% PEG 3350, pH 6.20, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.2	18 *	0.2M ammonium fluoride, 20% PEG 3350, pH 6.20, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.2	18 *	0.2M ammonium fluoride, 20% PEG 3350, pH 6.20, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	17 (mg/ml)
2	1	reservoir	ammonium fluoride	0.2 (M)
3	1	reservoir	PEG3350	20 (%)