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 |