1EAR
Crystal structure of Bacillus pasteurii UreE at 1.7 A. Type II crystal form.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7B |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2001-05-15 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 44.320, 63.510, 129.290 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.850 - 1.700 |
R-factor | 0.2126 |
Rwork | 0.213 |
R-free | 0.22810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB IDCODE 1EB0 |
RMSD bond length | 0.006 |
RMSD bond angle | 23.700 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.058 | 0.281 |
Total number of observations | 292340 * | |
Number of reflections | 20619 | |
<I/σ(I)> | 32.6 | 3.63 |
Completeness [%] | 99.0 | 96.8 |
Redundancy | 6.2 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.5 * | 294 | 92-96 % NACITRATE, 100MM TRIS PH 7, 294 K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | Tris-HCl | 50 (mM) | pH7.5 |
3 | 1 | drop | 100 (mM) | ||
4 | 1 | reservoir | citrate | 86-92 (%) | |
5 | 1 | reservoir | Tris-HCl | 100 (mM) | pH7. |