6KGH
Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis (apo-form)
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 | 97.710, 84.220, 90.500 |
Unit cell angles | 90.00, 111.60, 90.00 |
Refinement procedure
Resolution | 48.043 - 2.108 |
R-factor | 0.1907 |
Rwork | 0.189 |
R-free | 0.22180 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.027 |
RMSD bond angle | 0.911 |
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] | 48.100 | 2.420 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 39448 | 3914 |
<I/σ(I)> | 10.9 | |
Completeness [%] | 99.0 | |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7.4 | 293 | PEG 3350, CoCl2, MgCl2, HEPES |