3SDS
Crystal structure of a mitochondrial ornithine carbamoyltransferase from Coccidioides immitis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-01-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 150.360, 150.360, 92.110 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.800 |
R-factor | 0.1951 |
Rwork | 0.193 |
R-free | 0.23870 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.309 |
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 | 2.870 | |
High resolution limit [Å] | 2.800 | 12.520 | 2.800 |
Rmerge | 0.080 | 0.014 | 0.608 |
Number of reflections | 29749 | 278 | 2139 |
<I/σ(I)> | 18.54 | 78.77 | 2.66 |
Completeness [%] | 99.6 | 72.2 | 99.9 |
Redundancy | 4.9 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | CoimA.01230.a.MB1 PW30353 at 24.3 mg/mL against JCSG+ screen condition B2, 0.2 M PEG 3350, 0.2 M NaSCN with 20% ethylene glycol as cryo-protection reagent, crystal tracking ID 218420b2, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |