3GYZ

Crystal structure of IpgC from Shigella flexneri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-05-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97625
Spacegroup name	P 31 2 1
Unit cell lengths	115.150, 115.150, 75.460
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.690 - 2.150
R-factor	0.192
Rwork	0.191
R-free	0.21400
Structure solution method	MAD
RMSD bond length	0.024
RMSD bond angle	1.938
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	REFMAC (5.5.0044)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.690	2.280
High resolution limit [Å]	2.150	2.150
Rmerge	0.125	0.548
Number of reflections	31628	4963
<I/σ(I)>	10.12	2.1
Completeness [%]	99.7	98.7
Redundancy	9.1	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	0.1M ADA, 1M ammonium sulfate, pH6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	0.1M ADA, 1M ammonium sulfate, pH6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	0.1M ADA, 1M ammonium sulfate, pH6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K