1UYO

Translocator domain of autotransporter NalP from Neisseria meningitidis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Collection date	2002-06-15
Spacegroup name	C 2 2 21
Unit cell lengths	57.430, 84.893, 122.983
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 3.200
R-factor	0.219
Rwork	0.215
R-free	0.29800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.920 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.310
High resolution limit [Å]	3.200	3.200
Rmerge	0.150 *	0.359 *
Total number of observations	45309 *
Number of reflections	5100
<I/σ(I)>	9.4	3
Completeness [%]	98.6	94.8
Redundancy	8.9	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	28 *	88 MM TRIS-HCL, PH 7.0, 9% PEG2000MME 18% MPD. PROTEIN WAS CRYSTALLISED IN THE PRESENSE OF 0.06%, N-DECYLPENTAOXYETHYLENE AND 0.5% HEPTYL-B-GLUCOPYRANOSIDE AND 10 MM DTT

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Se-Met NalP~beta	8.5 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)	pH7.5
3	1	drop		0.06 (%(w/v))
4	1	drop	heptyl-beta-glucopyranoside	0.5 (%(w/v))
5	1	reservoir	Tris-HCl	88 (mM)	pH7.0
6	1	reservoir	PEG2000 MME	9 (%(w/v))
7	1	reservoir	MPD	18 (%(v/v))