5B8A
Crystal structure of oxidized chimeric EcAhpC1-186-YFSKHN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-16 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.999999 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 99.470, 134.730, 107.530 |
Unit cell angles | 90.00, 111.06, 90.00 |
Refinement procedure
Resolution | 50.010 - 2.700 |
R-factor | 0.24634 |
Rwork | 0.244 |
R-free | 0.28963 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4o5r |
RMSD bond length | 0.006 |
RMSD bond angle | 0.994 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.010 | 2.850 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 69616 | |
<I/σ(I)> | 7.2 | |
Completeness [%] | 96.1 | 91.3 |
Redundancy | 2.9 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 1.6 M ammonium sulfate, 100 mM MES pH 6.5, 5% Dioxane |