1BD0
ALANINE RACEMASE COMPLEXED WITH ALANINE PHOSPHONATE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 1996-10-30 |
| Detector | BRANDEIS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 98.227, 87.690, 85.305 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.600 |
| R-factor | 0.24 |
| Rwork | 0.240 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sft |
| RMSD bond length | 0.010 |
| RMSD bond angle | 26.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.851) |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.078 | |
| Total number of observations | 516378 * | |
| Number of reflections | 97731 | |
| <I/σ(I)> | 12.1 | 0.8 |
| Completeness [%] | 96.7 | 93.7 |
| Redundancy | 5.2 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.5 | PROTEIN WAS CRYSTALLIZED FROM 100MM TRIS BUFFER, PH 8.5, 200MM SODIUM ACETATE, 21% PEG 4000, AND 4MM 1-AMINOETHYL PHOSPHONIC ACID. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 30 (mg/ml) | |
| 2 | 1 | drop | PEG4000 | 21 (%(w/v)) | |
| 3 | 1 | drop | sodium acetate | 200 (mM) | |
| 4 | 1 | drop | Tris | 100 (mM) | |
| 5 | 1 | reservoir | PEG4000 | 0.700ml |
