1SMU
Crystal Structure of Cp Rd L41A mutant in reduced state 1 (drop-reduced)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 113 |
Detector technology | CCD |
Collection date | 2003-07-31 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0332 |
Spacegroup name | H 3 |
Unit cell lengths | 63.070, 63.070, 32.595 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 1.430 |
R-factor | 0.19 |
Rwork | 0.194 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fhh |
RMSD bond length | 0.021 * |
RMSD bond angle | 2.550 * |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear ((MSC/RIGAKU)) |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.520 |
High resolution limit [Å] | 1.430 | 1.430 |
Rmerge | 0.030 * | 0.132 * |
Number of reflections | 8595 | |
Completeness [%] | 98.2 | 94.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | ammonium sulfate, sodium dithionite, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | ammonium sulfate | 2.3 (M) | |
2 | 1 | reservoir | sodium acetate | 0.1 (M) | pH4.6 |
3 | 1 | reservoir | sodium dithionite | 10 (mM) |