4ZTK

Transpeptidase domain of FtsI4 D,D-transpeptidase from Legionella pneumophila.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	47.376, 72.057, 75.456
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.586 - 2.104
R-factor	0.1695
Rwork	0.167
R-free	0.21920
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.844
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.107	0.081	0.780
Rmeas	0.118	0.090	0.860
Rpim	0.048	0.039	0.356
Total number of observations	87973
Number of reflections	15303
<I/σ(I)>	9		2
Completeness [%]	98.4	93.4	99.2
Redundancy	5.7	5.1	5.5
CC(1/2)		0.993	0.711

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	289	0.1 M CHES-NaOH buffer, 30% PEG 400