3IVS
Homocitrate Synthase Lys4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-12-10 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97930 |
Spacegroup name | P 62 |
Unit cell lengths | 135.995, 135.995, 122.124 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.450 - 2.240 |
R-factor | 0.193 |
Rwork | 0.191 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | SAD phased model of Lys4 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.309 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.330 |
High resolution limit [Å] | 2.240 | 2.240 |
Rmerge | 0.060 | 0.540 |
Number of reflections | 60860 | |
<I/σ(I)> | 17.3 | 3.67 |
Completeness [%] | 99.4 | 99.7 |
Redundancy | 7.3 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 297 | PEG 400, MgAc, HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 297K |