1G5Q
EPID H67N COMPLEXED WITH SUBSTRATE PEPTIDE DSYTC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2000-03-12 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0499 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 223.552, 223.552, 223.552 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.920 - 2.570 |
| R-factor | 0.209 * |
| Rwork | 0.209 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | tetramer from EpiD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.680 |
| High resolution limit [Å] | 2.570 | 2.570 |
| Rmerge | 0.068 | 0.349 |
| Total number of observations | 151692 * | |
| Number of reflections | 56352 * | |
| <I/σ(I)> | 12.2 | 2 |
| Completeness [%] | 93.2 | 59.4 |
| Redundancy | 2.7 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8 * | 18 * | 100 mM MES/NaOH, 30 % MPD, 10 mM Peptide DSYTC, 3 mM DTT, 120 mM Glycine, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | MPD | 12 (%) | |
| 2 | 1 | reservoir | 10 (mM) | ||
| 3 | 1 | reservoir | Tris-HCl | 0.1 (M) |
