2GQP
N-Domain Of Grp94 In Complex With the Novel Ligand N-Propyl Carboxyamido Adenosine
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 | 2003-11-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.99997 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.690, 84.840, 95.740 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.780 - 1.500 |
| Rwork | 0.215 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yt1 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| 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] | 38.780 | 1.560 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 86106 | |
| <I/σ(I)> | 14.29 | 3.64 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.3 | 7.3 |
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 1uL ligand (in DMSO) per 50 protein for final conc 5mM , VAPOR DIFFUSION, HANGING DROP, temperature 291K |
