6KGS
Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with meropenem
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 | 2015-09-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9776 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 96.770, 85.110, 90.700 |
Unit cell angles | 90.00, 111.56, 90.00 |
Refinement procedure
Resolution | 47.632 - 2.309 |
R-factor | 0.1938 |
Rwork | 0.192 |
R-free | 0.22550 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 1.036 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | BALBES |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.390 |
High resolution limit [Å] | 2.309 | 2.310 |
Number of reflections | 30105 | 2994 |
<I/σ(I)> | 9.31 | |
Completeness [%] | 100.0 | |
Redundancy | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7.4 | 293 | PEG 3350, CoCl2, MgCl2, HEPES |