2JAJ
DDAH1 complexed with L-257
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-06-17 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.849, 46.914, 147.612 |
| Unit cell angles | 90.00, 94.56, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.214 |
| Rwork | 0.211 |
| R-free | 0.26300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PART-REFINED DDAH1 IN-HOUSE COORDINATES |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.669 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.900 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.060 | 0.150 |
| Number of reflections | 39147 | |
| <I/σ(I)> | 8.2 | 2.2 |
| Completeness [%] | 94.1 | 86.8 |
| Redundancy | 4.3 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 289 | PROTEIN: 20MG/ML IN 20MM TRIS-HCL PH 8.0, 150MM NACL, 1MM DTT. PRECIPITANT: 50MM TRIS-HCL PH 8.5, 150-300MM SODIUM ACETATE, 20-30% W/V PEG4000, 1MM DTT CO-CRYSTALLISED WITH 10MM LIGAND IN PRECIPITATING SOLUTION EXPT:SITTING DROPS UNDER MINERAL OIL AT 16DEG C |
