2H8M
N-Domain Of Grp94 In Complex With the 2-Iodo-NECA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-06-25 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.320, 84.500, 96.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.510 - 1.800 |
| Rwork | 0.213 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yt1 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 49922 | |
| <I/σ(I)> | 19.67 | 4.96 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.11 | 5.16 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 291 | 100 mM Tris pH 7.6 34% PEG 400 25 mM MgCl2 , VAPOR DIFFUSION, HANGING DROP, temperature 291K |
