3T1B
Crystal structure of the full-length AphB N100E variant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-21 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9795 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 268.737, 54.545, 103.840 |
Unit cell angles | 90.00, 100.95, 90.00 |
Refinement procedure
Resolution | 48.081 - 2.700 |
R-factor | 0.1986 |
Rwork | 0.197 |
R-free | 0.24540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3szp |
RMSD bond length | 0.002 |
RMSD bond angle | 0.651 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX (AutoMR) |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 131.922 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 58215 | |
<I/σ(I)> | 15.64 | 2.24 |
Completeness [%] | 99.7 | 99.4 |
Redundancy | 7.5 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 1 M sodium citrate, 0.1 M sodium cacodylate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |