3KXA

Crystal Structure of NGO0477 from Neisseria gonorrhoeae

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2006-04-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97800
Spacegroup name	H 3
Unit cell lengths	124.823, 124.823, 137.577
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.310 - 2.800
R-factor	0.23236
Rwork	0.230
R-free	0.27968
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.174
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.238	0.923
Number of reflections	19515
<I/σ(I)>	10.3	2.2
Completeness [%]	99.7	97.3
Redundancy	10.7	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	0.1M Tris HCl, 22% PEG 400, 0.3M tri-sodium citrate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	0.1M Tris HCl, 22% PEG 400, 0.3M tri-sodium citrate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K
2