2IHU
Carboxyethylarginine synthase from Streptomyces clavuligerus: putative reaction intermediate complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-19 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.813 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 119.691, 127.863, 197.150 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.130 - 2.050 |
| R-factor | 0.17246 |
| Rwork | 0.171 |
| R-free | 0.20092 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1upa |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.206 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.133 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.079 | 0.305 |
| Number of reflections | 183609 | |
| <I/σ(I)> | 7.9 | 2.4 |
| Completeness [%] | 97.1 | 88.9 |
| Redundancy | 3.7 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 290 | 1.6 M (NH4)2SO4, 0.1 M HEPES pH 7.4, 10 mg/mL protein with 3-fold excess of ThDP, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
