2H30

Crystal structure of the N-terminal domain of PilB from Neisseria gonorrhoeae

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	103
Detector technology	CCD
Collection date	2003-07-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9790,0.9791,0.9500
Spacegroup name	P 21 21 21
Unit cell lengths	43.381, 51.421, 80.396
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.000 - 1.600
Rwork	0.188
R-free	0.20900
Structure solution method	MAD
RMSD bond length	0.020
RMSD bond angle	1.850
Data scaling software	d*TREK
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.100	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.042	0.184
Number of reflections	24399
<I/σ(I)>	25	7.9
Completeness [%]	99.3	98.7
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	Equal volumes of protein (30 mg mL-1 in 20 mM Hepes pH 7.5, 100 mM NaCl) and well solutions (0.1 M Mes pH 6.5, 0.2 M NH4SO4, 26% PEG 2000 MME), VAPOR DIFFUSION, SITTING DROP, temperature 277K