3MZH
Crystal structure of cAMP receptor protein from mycobacterium tuberculosis in complex with cAMP and its DNA binding element
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-02-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0066 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.130, 61.250, 89.940 |
Unit cell angles | 90.00, 104.29, 90.00 |
Refinement procedure
Resolution | 43.579 - 2.900 |
R-factor | 0.2482 |
Rwork | 0.247 |
R-free | 0.27900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gau |
RMSD bond length | 0.012 |
RMSD bond angle | 1.465 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | Auto-Rickshaw |
Refinement software | PHENIX (1.6.1_357) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.278 | 44.278 | 3.060 |
High resolution limit [Å] | 2.900 | 9.170 | 2.900 |
Rmerge | 0.073 | 0.353 | |
Rmeas | 0.136 | 0.094 | 0.455 |
Rpim | 0.083 | 0.058 | 0.284 |
Total number of observations | 32355 | 1095 | 4773 |
Number of reflections | 14717 | ||
<I/σ(I)> | 5.1 | 8.9 | 2.2 |
Completeness [%] | 94.1 | 92 | 95.3 |
Redundancy | 2.2 | 2.2 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.2M MAGNESIUM CHLORIDE, 0.1M TRIS-CL pH 8.5, 30%(W/V) PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |