3W61
MamM-CTD H285A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.873 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 37.084, 95.078, 53.802 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.540 - 1.590 |
| R-factor | 0.181 |
| Rwork | 0.179 |
| R-free | 0.21220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3w5x |
| RMSD bond length | 0.025 |
| RMSD bond angle | 1.756 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.620 |
| High resolution limit [Å] | 1.590 | 4.320 | 1.590 |
| Rmerge | 0.040 | 0.023 | 0.274 |
| Number of reflections | 13193 | ||
| <I/σ(I)> | 14.8 | ||
| Completeness [%] | 99.6 | 94.6 | 99.2 |
| Redundancy | 6 | 5.2 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 0.1M BIS-TRIS PH 5.5, 25% PEG 3350, 0.2M LiSO4 , VAPOR DIFFUSION, SITTING DROP, temperature 100K |
