4PXD

The crystal structure of EcAAH in complex with allantoate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Detector technology	CCD
Collection date	2013-07-18
Detector	ADSC QUANTUM 270r
Wavelength(s)	0.97934
Spacegroup name	P 21 21 2
Unit cell lengths	106.829, 171.864, 43.244
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.301 - 2.200
R-factor	0.1705
Rwork	0.168
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1z2l
RMSD bond length	0.007
RMSD bond angle	1.114
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.149	0.075	0.741
Number of reflections	41528
<I/σ(I)>	4.6
Completeness [%]	99.9	99.5	100
Redundancy	14.4	13.3	14.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1