3CIS
The Crystal Structure of Rv2623 from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-09-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0809 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 172.975, 241.480, 241.659 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.570 - 2.900 |
| R-factor | 0.25136 |
| Rwork | 0.250 |
| R-free | 0.26817 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tq8 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.979 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.3.0034) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.508 | |
| Number of reflections | 121857 | |
| <I/σ(I)> | 14.4 | 2.013 |
| Completeness [%] | 98.1 | 95.6 |
| Redundancy | 5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.4 | 277 | 29% polyacrylate 5100, 100mM sodium citrate, 20mM MgCl2, 200mM MES, pH 5.4, vapor diffusion, sitting drop, temperature 277K |
