4PWS
Crystal structure of secreted proline rich antigen MTC28 (Rv0040c) at 2.15 A with bound chloride from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.771 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 101.410, 101.410, 67.690 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.950 - 2.150 |
R-factor | 0.1905 |
Rwork | 0.189 |
R-free | 0.21550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ol4 |
RMSD bond length | 0.026 |
RMSD bond angle | 2.476 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHARP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 2.210 | ||
High resolution limit [Å] | 2.150 | 9.620 | 2.150 |
Rmerge | 0.104 | 1.171 | 1.171 |
Rmeas | 0.033 | 1.291 | |
Number of reflections | 42287 | 472 | 3117 |
<I/σ(I)> | 14.19 | 41.81 | 1.98 |
Completeness [%] | 99.8 | 98.5 | 99.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 2.25M Sodium Chloride, 100mM Bis-Tris propane, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |