3CLM

Crystal structure of transaldolase (YP_208650.1) from Neisseria gonorrhoeae FA 1090 at 1.14 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-19
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97916
Spacegroup name	P 21 21 21
Unit cell lengths	42.140, 83.030, 89.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.579 - 1.140
R-factor	0.13
Rwork	0.130
R-free	0.16100
Structure solution method	MAD, MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	0.029
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.579	29.579	1.180
High resolution limit [Å]	1.140	2.450	1.140
Rmerge	0.043	0.024	0.326
Number of reflections	107548	22145	9600
<I/σ(I)>	10.68	27.5	2.3
Completeness [%]	90.4	98.8	44

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	NANODROP, 0.20M (NH4)2SO4, 20.0% PEG 3350, No Buffer pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
2	VAPOR DIFFUSION, SITTING DROP	6.5	277	NANODROP, 0.16M Ca(OAc)2, 20.0% Glycerol, 14.4% PEG 8000, 0.1M Cacodylate pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K