2W10
Mona SH3C in complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2006-04-15 |
Detector | MARRESEARCH |
Spacegroup name | P 1 |
Unit cell lengths | 26.137, 34.367, 36.220 |
Unit cell angles | 81.08, 87.05, 72.55 |
Refinement procedure
Resolution | 35.780 - 1.900 |
R-factor | 0.164 |
Rwork | 0.161 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uti |
RMSD bond length | 0.015 |
RMSD bond angle | 1.644 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0047) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.940 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.040 | 0.060 |
Number of reflections | 8966 | |
<I/σ(I)> | 18.7 | 11.5 |
Completeness [%] | 81.9 | 44.2 |
Redundancy | 2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 0.1 M PHOSPHATE CITRATE, 2 M AMMONIUM SULPHATE, pH 7.5 |