4QJI
Crystal Structure of the C-terminal CTP-binding domain of a Phosphopantothenoylcysteine decarboxylase/phosphopantothenate-cysteine ligase with bound CTP from Mycobacterium smegmatis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-02-26 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | P 65 |
Unit cell lengths | 90.580, 90.580, 109.570 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.110 - 2.650 |
R-factor | 0.1952 |
Rwork | 0.192 |
R-free | 0.24820 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.759 |
Data scaling software | XSCALE |
Phasing software | BALBES |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.720 | |
High resolution limit [Å] | 2.650 | 11.850 | 2.650 |
Rmerge | 0.059 | 0.017 | 0.490 |
Number of reflections | 14512 | 142 | 1091 |
<I/σ(I)> | 16.72 | 58.97 | 2.13 |
Completeness [%] | 97.5 | 81.1 | 99.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | Wiz3/4(f7): 25% PEG-1500, 0.1M MMT Buffer, pH=7.0; protein was incubated with 10mM each CTP and pantothenate, VAPOR DIFFUSION, SITTING DROP, temperature 289K |