8QZG
1,3 L,D-transpeptidase from Gluconobacter oxydans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-14 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.8731 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.778, 56.688, 93.019 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.410 - 1.730 |
R-factor | 0.1722 |
Rwork | 0.170 |
R-free | 0.20480 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.772 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER (1.20rc3_4406) |
Refinement software | REFMAC (5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.410 | 1.794 |
High resolution limit [Å] | 1.730 | 1.732 |
Rmerge | 0.111 | |
Number of reflections | 29339 | 2614 |
<I/σ(I)> | 10.48 | 1.12 |
Completeness [%] | 98.5 | 88.03 |
Redundancy | 5.6 | 3.4 |
CC(1/2) | 0.997 | 0.383 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M Imidazole MES monohydrate (acid) pH 6.5, 30 mM Magnesium chloride hexahydrate, 30 mM Calcium chloride dihydrate, 20% v/v PEG 500* MME; 10 % w/v PEG 20000 (Morpheus A1 condition) |