2Q1K

Cyrstal Structure of AscE from Aeromonas hydrophilla

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	200
Detector technology	CCD
Collection date	2006-09-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9790, 0.9792, 0.9600
Spacegroup name	P 43 21 2
Unit cell lengths	69.039, 69.039, 105.043
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.700
Rwork	0.243
R-free	0.28800
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.301
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.790
High resolution limit [Å]	2.700	2.700
Rmerge	0.096	0.351
Number of reflections	11024
<I/σ(I)>	7.7
Completeness [%]	99.4	96.2
Redundancy	6.9	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	10% PEG 4000, 1.4M NaCl, 13mM TCEP hydrochloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	7	298	10% PEG 4000, 1.4M NaCl, 13mM TCEP hydrochloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	7	298	10% PEG 4000, 1.4M NaCl, 13mM TCEP hydrochloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K