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 |