4WH0
YcaC from Pseudomonas aeruginosa with S-mercaptocysteine active site cysteine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-12-05 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.460, 114.530, 96.160 |
| Unit cell angles | 90.00, 91.90, 90.00 |
Refinement procedure
| Resolution | 48.050 - 2.563 |
| R-factor | 0.148073307849 |
| Rwork | 0.146 |
| R-free | 0.19104 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yac |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.822 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1745) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.050 | 2.655 |
| High resolution limit [Å] | 2.563 | 2.563 |
| Number of reflections | 47067 | |
| <I/σ(I)> | 11.32 | 2.62 |
| Completeness [%] | 91.0 | 58 |
| Redundancy | 8.2 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.75 | 292 | 20% PEG 3350, 200 mM Na malonate, and 100 mM MES-NaOH ph 6.75. |
