2GDN
Crystal structure of the Mycobacterium tuberculosis beta-lactamase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 121 |
| Detector technology | CCD |
| Collection date | 2004-10-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.90 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.744, 71.283, 85.169 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.640 - 1.720 |
| Rwork | 0.180 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bsg |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.426 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.640 | 1.780 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.111 | 0.306 |
| Number of reflections | 25908 | 2808 |
| <I/σ(I)> | 10.7 | |
| Completeness [%] | 91.1 | 100 |
| Redundancy | 6.8 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289 | 0.1 M Tris-HCl, 2.0 M NH4H2PO4, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
