1D2U

1.15 A CRYSTAL STRUCTURE OF NITROPHORIN 4 FROM RHODNIUS PROLIXUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	105
Detector technology	AREA DETECTOR
Collection date	1998-12-11
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	69.920, 42.690, 52.750
Unit cell angles	90.00, 93.82, 90.00

Refinement procedure

Resolution	52.000 - 1.150
R-factor	0.13
Rwork	0.130
R-free	0.19000
RMSD bond length	0.015
RMSD bond angle	0.037
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.000	1.190
High resolution limit [Å]	1.150	1.150
Rmerge	0.040	0.260
Total number of observations	118648 *
Number of reflections	49629
<I/σ(I)>	22.4
Completeness [%]	90.0	74
Redundancy	2.4	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6 *	298	Weichsel, A., (2000) Nat. Struct. Biol., 7, 551. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)
3	1	reservoir	PEG4000	25 (%(w/v))
4	1	reservoir	sodium citrate	100 (mM)