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 |