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 |