3KIP
Crystal structure of type-II 3-dehydroquinase from C. albicans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Collection date | 2006 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 159.103, 308.110, 97.152 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 70.680 - 2.950 |
| R-factor | 0.205 |
| Rwork | 0.203 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | a 3D EM reconstruction at 15 A resolution |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.271 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.680 | 3.110 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Number of reflections | 101228 | |
| <I/σ(I)> | 4.3 | 1.4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.4 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 14% PEG 8000 (w/v), LiSO4 0.2 M, Hepes buffer 0.1 M, pH 7.0, sitting drop, temperature 293K, VAPOR DIFFUSION, SITTING DROP |
