2A81
carboxymethylproline synthase (CarB) from pectobacterium carotovora, complexed with acetyl CoA and bicine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX10.1 |
| Synchrotron site | SRS |
| Beamline | PX10.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-02-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.009 |
| Spacegroup name | P 63 |
| Unit cell lengths | 139.605, 139.605, 78.546 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.910 - 3.150 |
| R-factor | 0.194 |
| Rwork | 0.192 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | monomer of 2A7K |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.114 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.910 | 50.000 | 3.260 |
| High resolution limit [Å] | 3.150 | 6.780 | 3.150 |
| Rmerge | 0.203 | 0.062 | 0.562 |
| Number of reflections | 15149 | ||
| Completeness [%] | 99.3 | ||
| Redundancy | 5.9 | 6 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | PEG 6000, BICINE, pH 8, vapor diffusion, hanging drop, temperature 291K |
