4ORF
cAMP-binding acyltransferase from Mycobacterium smegmatis, mutant R95K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-11-15 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.295, 82.847, 104.370 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.2257 |
| Rwork | 0.220 |
| R-free | 0.27590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.841 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 4.930 | 2.000 |
| Rmerge | 0.047 | 0.030 | 0.648 |
| Number of reflections | 22549 | ||
| <I/σ(I)> | 10.9 | ||
| Completeness [%] | 96.9 | 93.2 | 96.6 |
| Redundancy | 4.3 | 4.2 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | PEG 3350, NaCl, Bis-Tris, MgCl2, DAPD, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
