1MDR
THE ROLE OF LYSINE 166 IN THE MECHANISM OF MANDELATE RACEMASE FROM PSEUDOMONAS PUTIDA: MECHANISTIC AND CRYSTALLOGRAPHIC EVIDENCE FOR STEREOSPECIFIC ALKYLATION BY (R)-ALPHA-PHENYLGLYCIDATE
Experimental procedure
Spacegroup name | I 4 2 2 |
Unit cell lengths | 125.150, 125.150, 105.650 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 6.000 - 2.100 |
R-factor | 0.151 |
Rwork | 0.151 |
RMSD bond length | 0.016 |
RMSD bond angle | 23.700 * |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | |
High resolution limit [Å] | 2.100 * |
Rmerge | 0.081 * |
Total number of observations | 89227 * |
Number of reflections | 9974 * |
Completeness [%] | 85.0 * |
Redundancy | 3.7 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8 * | taken from Neidhart, D.J. et al (1991). Biochemistry, 30, 9264-9273. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | enzyme | 3 (mg/ml) | |
2 | 1 | drop | Tris-HCl | 50 (mM) | |
3 | 1 | drop | 10 (mM) | ||
4 | 1 | drop | 0.01 (%) | ||
5 | 1 | reservoir | ammonium sulfate | 30 (%sat) |