3SJ0
PpcA mutant M58S
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-04-14 |
Detector | CUSTOM-MADE |
Wavelength(s) | 1.03320 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 32.400, 32.400, 178.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.000 |
R-factor | 0.19275 |
Rwork | 0.190 |
R-free | 0.21983 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1os6 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.542 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.041 | 0.072 |
Number of reflections | 6265 | |
<I/σ(I)> | 5 | 16 |
Completeness [%] | 93.8 | 70.6 |
Redundancy | 7 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 3.8 M Ammonium Sulfate 0.25% Deoxycholic Acid, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |