5YIT
Crystal Structure of Hypothetical protein (Rv3272) from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-09-25 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9858 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 542.400, 71.000, 49.550 |
Unit cell angles | 90.00, 90.44, 90.00 |
Refinement procedure
Resolution | 43.590 - 2.790 |
R-factor | 0.23387 |
Rwork | 0.231 |
R-free | 0.28578 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vjq |
RMSD bond length | 0.013 |
RMSD bond angle | 1.552 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | BALBES |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.590 | 2.890 |
High resolution limit [Å] | 2.790 | 2.790 |
Rmerge | 0.103 | 0.356 |
Number of reflections | 45755 | 4303 |
<I/σ(I)> | 7.86 | 2.97 |
Completeness [%] | 96.9 | 79.3 |
Redundancy | 3.7 | 2.97 |
CC(1/2) | 0.990 | 0.920 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 100mM Tris-HCl, 100mM MgCl2, 20-25% PEG 6000 |