2A7S
Crystal Structure of the Acyl-CoA Carboxylase, AccD5, from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-04-25 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 175.252, 175.252, 342.999 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.880 - 2.900 |
R-factor | 0.193 |
Rwork | 0.193 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | ACYL-COA CARBOXYLASE FROM STREPTOMYCES COELICOLOR PCCB |
RMSD bond length | 2.462 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.950 |
High resolution limit [Å] | 2.800 | 2.900 |
Rmerge | 0.158 | 0.450 |
Number of reflections | 118668 | |
<I/σ(I)> | 7 | 2.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.6 | 298 | 0.1 M sodium citrate pH 5.6, 0.2 M ammonium acetate, 15% PEG 4K, VAPOR DIFFUSION, SITTING DROP, temperature 298K, pH 5.60 |