2IHT
Carboxyethylarginine synthase from Streptomyces clavuligerus: SeMet structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-10-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.488 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 117.882, 127.279, 197.328 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.258 - 2.000 |
| R-factor | 0.154 |
| Rwork | 0.154 |
| R-free | 0.17800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1upa |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.119 |
| 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] | 42.258 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.075 | 0.181 |
| Total number of observations | 64649 | |
| Number of reflections | 192312 | |
| <I/σ(I)> | 6.6 | 1.9 |
| Completeness [%] | 96.3 | 79.6 |
| Redundancy | 3.8 | 2.8 |
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 |
