3R20
Crystal structure of cytidylate kinase from Mycobacterium smegmatis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-04 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97946 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 96.220, 96.220, 43.150 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.000 |
R-factor | 0.1705 |
Rwork | 0.168 |
R-free | 0.21000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3r8c |
RMSD bond length | 0.014 |
RMSD bond angle | 1.341 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.050 | |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.072 | 0.023 | 0.416 |
Number of reflections | 15632 | 202 | 1114 |
<I/σ(I)> | 21.82 | 64.69 | 3.94 |
Completeness [%] | 98.8 | 97.6 | 94.2 |
Redundancy | 7.8 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | MysmA.00663.a.A1 PS00600 at 37.2 mg/mL against JCSG+ screen condition E2. 0.2 M NaCl, 0.1 M sodium cacodylate pH 6.5, 2 M ammonium sulfate with 25% ethylene glycol as cryo-protectant, crystal tracking ID 215891e2, VAPOR DIFFUSION, SITTING DROP, temperature 289K |