6KGV
Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with amoxicillin
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 | 96.630, 83.800, 90.130 |
Unit cell angles | 90.00, 111.71, 90.00 |
Refinement procedure
Resolution | 44.888 - 2.301 |
R-factor | 0.1943 |
Rwork | 0.192 |
R-free | 0.23920 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.022 |
RMSD bond angle | 0.870 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.888 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 29580 | 2910 |
<I/σ(I)> | 13.94 | |
Completeness [%] | 99.0 | |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7.4 | 293 | PEG 3350, CoCl2, MgCl2, HEPES |