1U13
Crystal structure analysis of the C37L/C151T/C442A-triple mutant of CYP51 from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-07-01 |
Detector | SBC-3 |
Wavelength(s) | 0.9794 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.294, 85.133, 110.464 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.340 - 2.010 |
R-factor | 0.2 |
Rwork | 0.200 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e9x |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
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] | 46.340 | 2.080 |
High resolution limit [Å] | 2.010 | 2.010 |
Number of reflections | 29727 | |
<I/σ(I)> | 13.6 | 2.7 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 7.6 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | PEG 4000, HEPES, Isopropanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |