2X2B
Crystal structure of malonyl-ACP (acyl carrier protein) from Bacillus subtilis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-16 |
| Detector | ADSC CCD |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 96.944, 96.944, 98.816 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.470 - 2.690 |
| R-factor | 0.21261 |
| Rwork | 0.212 |
| R-free | 0.23297 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.503 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SHELX-AUTOSHARP |
| Refinement software | REFMAC (5.5.0106) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.500 | 2.840 |
| High resolution limit [Å] | 2.700 | 2.690 |
| Rmerge | 0.080 | 0.640 |
| Number of reflections | 6824 | |
| <I/σ(I)> | 32.4 | 5.8 |
| Completeness [%] | 99.9 | 99.2 |
| Redundancy | 23.1 | 23.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 2M (NH4)2SO4, 0.1M CITRATE-PHOSPHATE BUFFER PH 4.2 |
