1I13
ANALYSIS OF AN INVARIANT ASPARTIC ACID IN HPRTS-ALANINE MUTANT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-04-21 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.450, 102.250, 52.000 |
| Unit cell angles | 90.00, 94.11, 90.00 |
Refinement procedure
| Resolution | 6.000 - 1.840 |
| R-factor | 0.192 * |
| Rwork | 0.192 |
| R-free | 0.25200 |
| 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 | 1.570 |
| 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] | 30.000 | 1.840 |
| High resolution limit [Å] | 1.840 | 1.840 * |
| Rmerge | 0.056 | 0.400 * |
| Number of reflections | 33269 * | |
| <I/σ(I)> | 13.7 | 2.3 |
| Completeness [%] | 95.8 | 93.7 * |
| Redundancy | 2.3 | 2.2 |
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 |
