4EZE

Crystal structure of had family hydrolase t0658 from Salmonella enterica subsp. enterica serovar Typhi (Target EFI-501419)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-12
Detector	ADSC QUANTUM 315
Spacegroup name	P 41 21 2
Unit cell lengths	117.634, 117.634, 118.815
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.620 - 2.270
R-factor	0.19402
Rwork	0.192
R-free	0.24631
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p96
RMSD bond length	0.008
RMSD bond angle	1.310
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0025)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.000	2.300
High resolution limit [Å]	2.270	2.270
Number of reflections	39163
<I/σ(I)>	8.7	2
Completeness [%]	100.0	99.8
Redundancy	15.9	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		0.1M SODIUM CACODYLATE, PH 6.5, 1M SODIUM CITRATE TRIBASIC, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K