5E85
isolated SBD of BiP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4C |
Synchrotron site | NSLS |
Beamline | X4C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-02-08 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.979 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 36.378, 91.661, 141.797 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.489 - 2.570 |
R-factor | 0.2215 |
Rwork | 0.219 |
R-free | 0.26400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.746 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.490 | 2.610 |
High resolution limit [Å] | 2.570 | 2.570 |
Rmerge | 0.044 | 0.120 |
Number of reflections | 7908 | |
<I/σ(I)> | 56.6 | 16.2 |
Completeness [%] | 99.8 | 98 |
Redundancy | 6.6 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 297 | 2.0 M ammonium sulfate, 0.1 M acetate acid, pH 4.5, and 2.67% acetonitrile |