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 |