2HG1
N-Domain Of Grp94 In Complex With the Novel Ligand N-(2-hydroxyl)ethyl Carboxyamido Adenosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-04-22 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.190, 84.430, 94.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.410 - 2.300 |
| Rwork | 0.214 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gqp |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 23793 | |
| <I/σ(I)> | 10.08 | 4.05 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.6 | 3.6 |
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 1.5uL ligand per 100 protein for final conc 5mM stock NEaCA 437mM in DMSO , VAPOR DIFFUSION, HANGING DROP, temperature 291K |
