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 |