5B89
Crystal structure of a Cysteine Desulfurase from Thermococcus onnurineus NA1 in complex with alanine at 1.5 Angstrom resolution
Experimental procedure
| Experimental method | MAD |
| 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 | 2014-07-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.939, 78.718, 171.908 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.160 - 1.500 |
| R-factor | 0.16806 |
| Rwork | 0.167 |
| R-free | 0.19424 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5b7s |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.458 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.089 | 0.566 |
| Number of reflections | 128618 | |
| <I/σ(I)> | 62.9 | 6.5 |
| Completeness [%] | 94.1 | 91.9 |
| Redundancy | 12.5 | 12.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.03M NaNO3, 0.03M Na2HPO4 , 0.03M (NH4)2SO4, 20% (v/v) ethylene glycol, 15% (w/v) PEG 8000, 0.1M Imidazol/MES pH 6.5 |
