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 |