1SD7
Crystal Structure of a SeMet derivative of MecI at 2.65 A
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F2 |
Synchrotron site | CHESS |
Beamline | F2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-10-06 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9790, 0.9793, 0.9637 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.610, 70.174, 75.009 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.350 - 2.650 |
R-factor | 0.248 |
Rwork | 0.241 |
R-free | 0.31700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qkr |
RMSD bond length | 0.011 |
RMSD bond angle | 21.600 * |
Data reduction software | DPS |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.740 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.071 | 0.163 |
Number of reflections | 10345 | |
<I/σ(I)> | 25.9 | 19.9 |
Completeness [%] | 94.8 | 100 |
Redundancy | 13.5 | 10.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 * | 291 | PEG 8000, Sodium Cacodylate, Magnesium acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | potassium phosphate | 20 (mM) | pH7.6 |
2 | 1 | reservoir | 200 (mM) |