1FEP

FERRIC ENTEROBACTIN RECEPTOR

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-11
Detector	RIGAKU
Wavelength(s)	0.9792,0.9789,0.9686,0.9871,1.6024
Spacegroup name	C 2 2 21
Unit cell lengths	112.300, 127.600, 135.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.400
Rwork	0.236
R-free	0.28200
Structure solution method	MAD
RMSD bond length	0.019
RMSD bond angle	3.292
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (0.3C)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.480
High resolution limit [Å]	2.400	2.390
Rmerge	0.056	0.220
Total number of observations	409519 *
Number of reflections	72601
<I/σ(I)>	15.1	2.1
Completeness [%]	97.9	87.8
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8	294 *	pH 8.0
1	Vapor diffusion, hanging drop *	8	294 *	pH 8.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7.5 (mg/ml)
10	1	reservoir	PEG1000	28-32 (%)
11	1	reservoir	dithiothreitol	10 (mM)
12	1	reservoir	tricine	0.1 (M)
13	1	reservoir	LDAO	0.06 (%)
14	1	reservoir		0.35 (M)
15	1	reservoir	glycerol	10 (%)	and reservoir 2mM NaN3
2	1	drop	PEG1000	14-18 (%)
3	1	drop	tricine	0.05 (M)
4	1	drop	MOPS	0.0125 (M)
5	1	drop	LDAO	0.055 (%)
6	1	drop		0.35 (M)
7	1	drop	heptane-1,2,3-triol	1.75 (%)
8	1	drop	glycerol	15 (%)
9	1	drop		2 (mM)