3X3N
Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P21
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9781 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.840, 122.650, 60.420 |
| Unit cell angles | 90.00, 101.27, 90.00 |
Refinement procedure
| Resolution | 33.651 - 2.000 |
| R-factor | 0.2037 |
| Rwork | 0.202 |
| R-free | 0.23400 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.054 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.651 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.101 | 0.469 |
| Number of reflections | 30131 | |
| <I/σ(I)> | 12.3 | 4.5 |
| Completeness [%] | 98.4 | 98.3 |
| Redundancy | 8.9 | 9.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 20mM Tris-Cl pH 7.5, 100mM magnesium formate, and 15% [w/v] PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
