1F89
Crystal structure of Saccharomyces cerevisiae Nit3, a member of branch 10 of the nitrilase superfamily
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X8C |
Synchrotron site | NSLS |
Beamline | X8C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-04-14 |
Detector | ADSC QUANTUM 4r |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.523, 53.492, 80.985 |
Unit cell angles | 90.00, 112.43, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.400 |
R-factor | 0.229 * |
Rwork | 0.229 |
R-free | 0.25800 |
Structure solution method | MAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.536 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASES |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.096 | 0.429 |
Number of reflections | 24505 | |
Completeness [%] | 81.4 | 35.7 |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | PEG 8000, HEPES, Magnesium chloride, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 3 (mg/ml) | |
2 | 1 | reservoir | PEG8000 | 10 (%) | |
3 | 1 | reservoir | HEPES | 100 (mM) | |
4 | 1 | reservoir | 5 (mM) |