4Y1R
SAV1875-cysteinesulfonic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97960 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 81.429, 94.715, 42.418 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.330 - 1.650 |
| R-factor | 0.19147 |
| Rwork | 0.190 |
| R-free | 0.21717 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4y0n |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.379 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 1.680 |
| High resolution limit [Å] | 1.650 | 4.480 | 1.650 |
| Rmerge | 0.057 | 0.037 | 0.236 |
| Rmeas | 0.059 | 0.039 | 0.253 |
| Rpim | 0.017 | 0.012 | 0.089 |
| Total number of observations | 470168 | ||
| Number of reflections | 39845 | ||
| <I/σ(I)> | 23.5 | ||
| Completeness [%] | 98.2 | 97.4 | 83.1 |
| Redundancy | 11.8 | 11.4 | 7.6 |
| CC(1/2) | 0.998 | 0.973 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | PPG400, Bis-Tris |
