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 |