1H70
DDAH FROM PSEUDOMONAS AERUGINOSA. C249S MUTANT COMPLEXED WITH CITRULLINE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-05-15 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 69.814, 61.798, 54.618 |
| Unit cell angles | 90.00, 95.15, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.191 |
| Rwork | 0.190 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NATIVE DDAH |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.925 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.200 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.045 | 0.082 |
| Number of reflections | 20847 | |
| <I/σ(I)> | 10 | 8 |
| Completeness [%] | 99.3 * | 99.8 * |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 * | SITTING DROPS; EQUAL QUANTITIES OF PROTEIN SOLUTION AND WELL SOLUTION. PROTEIN SOLUTION 14 MG/ML IN 50MM TRIS PH8, 5MMDTT, 10:1 MOLAR RATIO OF CITRULLINE. WEEL SOLUTION ).1M TRIS PH 8.5, 0.2M NA ACETATE, 25%W/V PEG4000. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | Tris | 0.1 (M) | |
| 2 | 1 | reservoir | sodium acetate | 0.15-0.3 (M) | |
| 3 | 1 | reservoir | PEG4000 | 25-35 (%(w/v)) | |
| 4 | 1 | drop | protein | 12-14 (mg/ml) | |
| 5 | 1 | drop | Tris | 50 (mM) | |
| 6 | 1 | drop | dithiothreitol | 5 (mM) |
