1I0L
ANALYSIS OF AN INVARIANT ASPARTIC ACID IN HPRTS-ASPARAGINE MUTANT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Detector technology | CCD |
| Collection date | 1999-09-09 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.570, 103.500, 52.150 |
| Unit cell angles | 90.00, 93.94, 90.00 |
Refinement procedure
| Resolution | 6.000 - 1.720 |
| R-factor | 0.21 * |
| Rwork | 0.210 |
| R-free | 0.26700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tc2 with ligands water molecules and loop II removed |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.640 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.760 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.061 | 0.272 |
| Number of reflections | 44365 | |
| <I/σ(I)> | 31.3 | 3.2 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 4.8 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | PEG 6000, Sodium acetate, ammonium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP |
