2VSQ
Structure of surfactin A synthetase C (SrfA-C), a nonribosomal peptide synthetase termination module
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-14 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 83.106, 106.562, 92.401 |
Unit cell angles | 90.00, 97.35, 90.00 |
Refinement procedure
Resolution | 82.500 - 2.600 |
R-factor | 0.215 |
Rwork | 0.213 |
R-free | 0.27200 |
Structure solution method | MAD |
Starting model (for MR) | PDB ENTRIES 1AMU AND 2JGP |
RMSD bond length | 0.011 |
RMSD bond angle | 1.272 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 82.500 | 2.670 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.040 | 0.480 |
Number of reflections | 45564 | |
<I/σ(I)> | 12.9 | 2 |
Completeness [%] | 93.0 | 68 |
Redundancy | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 0.1 M MGCL2, 0.05 M HEPES (PH 7.5), 15 % (W/V) PEG 2000 | ||
1 | 7.5 | 0.1 M MGCL2, 0.05 M HEPES (PH 7.5), 15 % (W/V) PEG 2000 |