3CEB

Crystal structure of a putative 4-amino-4-deoxychorismate lyase (hs_0128) from haemophilus somnus 129pt at 2.40 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-01-23
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97928, 0.97886
Spacegroup name	P 61
Unit cell lengths	149.730, 149.730, 34.040
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.296 - 2.400
R-factor	0.188
Rwork	0.186
R-free	0.22500
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.934
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.296	28.296	2.490
High resolution limit [Å]	2.400	5.140	2.400
Rmerge	0.095	0.036	0.596
Number of reflections	17363	3259	3331
<I/σ(I)>	8.62	21.2	1.6
Completeness [%]	97.0	95.2	94.3
Redundancy	2.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	277	NANODROP, 20.0% Glycerol, 1.27M Ammonium sulfate, 0.1M Sodium acetate pH 4.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K