7AHB
Acyltransferase domain of the polyketide synthase PpsC of Mycobacterium tuberculosis
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 | 2005-11-05 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.933400 |
Spacegroup name | P 1 |
Unit cell lengths | 51.374, 58.355, 65.857 |
Unit cell angles | 65.84, 73.28, 71.02 |
Refinement procedure
Resolution | 48.120 - 1.900 |
R-factor | 0.189 |
Rwork | 0.188 |
R-free | 0.22400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qo3 |
RMSD bond length | 0.009 |
RMSD bond angle | 0.801 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.120 | 1.968 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 49339 | 4913 |
<I/σ(I)> | 13.7 | |
Completeness [%] | 96.4 | |
Redundancy | 2.1 | |
CC(1/2) | 0.998 | 0.810 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 285 | 1.8 M ammonium sulfate, 0.2 M sodium thiocyanate, 0.1M Tris pH 8 |