2Y4R

CRYSTAL STRUCTURE OF 4-AMINO-4-DEOXYCHORISMATE LYASE FROM PSEUDOMONAS AERUGINOSA

Replaces:  2Y1UReplaces:  2XPF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-13
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 21
Unit cell lengths	40.813, 66.817, 202.688
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	101.340 - 1.750
R-factor	0.16937
Rwork	0.167
R-free	0.21543
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1et0
RMSD bond length	0.024
RMSD bond angle	2.139
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	5.530
High resolution limit [Å]	1.750	1.750
Rmerge	0.080	0.450
Number of reflections	56255
<I/σ(I)>	10.7	2.5
Completeness [%]	98.9	98.5
Redundancy	3.7	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	VAPOUR DIFFUSION, HANGING DROP, 293K, 1 TO 1 MIXTURE OF RESERVOIR TO PROTEIN SOLUTION. RESERVOIR CONTAINED 1.8 M AMMONIUM SULFATE, 10 % W/V PEG400, 0.1 M MES PH 6.5. PROTEIN SOLUTION CONTAINED PABC PROTEIN AT 33 MG/ML, 500 MM NACL, 100 MM HEPES PH 7.5, 0.1 MM PYRIDOXAL PHOSPHATE AND 10 MM PARA-AMINOBENZOIC ACID.