8J65
the structure of L,D-transpeptidase LdtMt2 complex with citrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-11-13 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.184, 75.885, 67.068 |
Unit cell angles | 90.00, 111.92, 90.00 |
Refinement procedure
Resolution | 48.115 - 1.800 |
R-factor | 0.2134 |
Rwork | 0.212 |
R-free | 0.23580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vyp |
RMSD bond length | 0.004 |
RMSD bond angle | 0.670 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.120 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.068 | 0.784 |
Rmeas | 0.073 | 0.846 |
Rpim | 0.038 | 0.314 |
Number of reflections | 42144 | 2497 |
<I/σ(I)> | 18.6 | |
Completeness [%] | 95.6 | 95.8 |
Redundancy | 7 | |
CC(1/2) | 0.999 | 0.827 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 25% PEG3350, 10 mM citrate |