Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 5ID-B |
Synchrotron site | APS |
Beamline | 5ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-08-07 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.313, 61.641, 89.252 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 0.850 |
Rwork | 0.091 |
R-free | 0.11170 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jwp |
RMSD bond length | 0.014 * |
RMSD bond angle | 2.600 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 0.870 |
High resolution limit [Å] | 0.850 | 0.850 |
Rmerge | 0.052 | 0.420 |
Total number of observations | 1143489 * | |
Number of reflections | 200302 | 13237 * |
<I/σ(I)> | 25.7 | 3.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.7 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 8 | 295 | used seeding * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | enzyme | 5 (mg/ml) | |
2 | 1 | drop | compound 1 | 2.5 (mM) | |
3 | 1 | drop | sodium potassium phosphate | 0.65 (M) | pH8.0 |
4 | 1 | reservoir | sodium potassium phosphate | 1.4 (M) | pH8.0 |