3QZE
Crystal Structure of DapA (PA1010) at 1.6 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2010-07-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97700 |
Spacegroup name | P 1 |
Unit cell lengths | 43.110, 51.740, 140.350 |
Unit cell angles | 95.70, 90.02, 113.27 |
Refinement procedure
Resolution | 40.000 - 1.590 |
R-factor | 0.14948 |
Rwork | 0.147 |
R-free | 0.19920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2OJP chain-A edited |
RMSD bond length | 0.024 |
RMSD bond angle | 2.023 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.250 | 1.670 |
High resolution limit [Å] | 1.590 | 1.590 |
Rmerge | 0.053 | 0.281 |
Number of reflections | 139082 | |
<I/σ(I)> | 9.5 | 3.1 |
Completeness [%] | 92.7 | 92.2 |
Redundancy | 2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 293 | 0.1 M Tris-HCl pH 7.6, 0.2 M MgCl2, 18% PEG6000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |