1L6F
Alanine racemase bound with N-(5'-phosphopyridoxyl)-L-alanine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | MACSCIENCE |
Temperature [K] | 293 |
Detector technology | AREA DETECTOR |
Collection date | 1998-09-15 |
Detector | SIEMENS HI-STAR |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 99.960, 90.866, 85.417 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.000 - 2.000 |
R-factor | 0.172 |
Rwork | 0.172 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sft |
RMSD bond length | 0.006 |
RMSD bond angle | 26.200 * |
Data reduction software | SAINT |
Data scaling software | SAINT |
Phasing software | X-PLOR |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.100 | 1.998 |
High resolution limit [Å] | 1.930 | 1.929 |
Rmerge | 0.088 * | |
Total number of observations | 199015 * | |
Number of reflections | 52427 | |
<I/σ(I)> | 1.48 | 1.48 |
Completeness [%] | 88.4 | 73.2 |
Redundancy | 3.8 | 1.82 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 20 * | PEG 4000, sodium acetate, Tris-buffer, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG4000 | 20 (%(w/v)) | |
2 | 1 | reservoir | sodium acetate | 200 (mM) | |
3 | 1 | reservoir | Tris-HCl | 100 (mM) | pH8.5 |
4 | 1 | drop | protein | 10 (mg/ml) |