4K40
Peptidoglycan O-acetylesterase in action, 0 min
Experimental procedure
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.872, 79.493, 124.383 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.000 - 2.634 |
R-factor | 0.169 |
Rwork | 0.165 |
R-free | 0.23770 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.209 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.000 | 2.728 |
High resolution limit [Å] | 2.634 | 2.634 |
Number of reflections | 2013 | |
<I/σ(I)> | 8.02 | |
Completeness [%] | 98.3 | 94.29 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291.15 | 100 mM Hepes pH 7.5 10-40% Peg 10000, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K |