5E84
ATP-bound state 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 | P 32 2 1 |
| Unit cell lengths | 222.468, 222.468, 209.460 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.760 - 2.990 |
| R-factor | 0.24489 |
| Rwork | 0.243 |
| R-free | 0.28701 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jne |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.495 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.760 | 3.050 |
| High resolution limit [Å] | 2.990 | 3.000 |
| Rmerge | 0.118 | 0.402 |
| Number of reflections | 111753 | |
| <I/σ(I)> | 25.4 | 4.1 |
| Completeness [%] | 97.8 | 98.6 |
| Redundancy | 7.3 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277 | 8%-12% PEG 3000, 0.1 M acetate acid, pH 4.5, and 0.2 M zinc acetate |
