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 |
