4WPY
Racemic crystal structure of Rv1738 from Mycobacterium tuberculosis (Form-II)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-23 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | C 1 2/c 1 |
Unit cell lengths | 80.402, 43.989, 58.437 |
Unit cell angles | 90.00, 118.44, 90.00 |
Refinement procedure
Resolution | 37.350 - 1.500 |
R-factor | 0.23 |
Rwork | 0.228 |
R-free | 0.25330 |
Structure solution method | AB INITIO PHASING |
Starting model (for MR) | idealized 14mer polyAla helix |
RMSD bond length | 0.011 |
RMSD bond angle | 1.020 |
Data scaling software | Aimless (0.3.11) |
Refinement software | PHENIX (dev_1833) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 51.460 | 51.460 | 1.530 |
High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
Rmerge | 0.078 | 0.025 | 1.652 |
Rpim | 0.047 | 0.016 | 1.001 |
Total number of observations | 107681 | 614 | 5303 |
Number of reflections | 29319 | ||
<I/σ(I)> | 9.1 | 34.7 | 0.8 |
Completeness [%] | 99.8 | 95 | 99.9 |
Redundancy | 3.7 | 3.3 | 3.7 |
CC(1/2) | 0.999 | 0.999 | 0.697 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 292 | 1 microlitre of protein solution containing 9 mg/ml L-Rv1738 and 9 mg/ml D-Rv1738 in water was mixed with 1 microlitre of well solution containing 0.1 M BIS-TRIS pH 5.5, 25 % (w/v) PEG 3350 |