1P4T

Crystal structure of Neisserial surface protein A (NspA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-05-04
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	H 3 2
Unit cell lengths	97.372, 97.372, 171.939
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 * - 2.550
R-factor	0.22664
Rwork	0.225
R-free	0.25800 *
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.770 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC (5.1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.640
High resolution limit [Å]	2.550	2.550
Rmerge	0.070	0.375
Total number of observations	125566 *
Number of reflections	10350	1029 *
<I/σ(I)>	19	5.2
Completeness [%]	98.6	99.7
Redundancy	12.1	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	4 *	0.06% n-decylpentaoxyethylene (c10e5), 12% (w/v) PEG 3000, 0.1 M lithium sulfate, 0.1 M N-(2-acetamido)iminodiacetic acid (ADA), 2% (v/v) isopropanol, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	drop	C10E5	0.06 (%(w/v))
3	1	reservoir	PEG3000	12 (%(w/v))
4	1	reservoir	lithium sulfate	0.1 (M)
5	1	reservoir	ADA	0.1 (M)	pH6.6
6	1	reservoir	isopropanol	2 (%(v/v))