1M9H
Corynebacterium 2,5-DKGR A and Phe 22 replaced with Tyr (F22Y), Lys 232 replaced with Gly (K232G), Arg 238 replaced with His (R238H)and Ala 272 replaced with Gly (A272G)in presence of NADH cofactor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 103 |
Detector technology | IMAGE PLATE |
Collection date | 2002-04-04 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 111.950, 55.240, 51.540 |
Unit cell angles | 90.00, 111.66, 90.00 |
Refinement procedure
Resolution | 27.000 * - 2.000 |
R-factor | 0.214 |
Rwork | 0.213 |
R-free | 0.26100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1a80 |
RMSD bond length | 0.008 |
RMSD bond angle | 14.900 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | TNT |
Refinement software | TNT |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.000 * | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.114 | 0.276 |
Total number of observations | 242073 * | |
Number of reflections | 18364 * | |
<I/σ(I)> | 16.6 | 4.2 |
Completeness [%] | 92.9 * | 83.3 |
Redundancy | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | lithium sulfate monohydrate, hepes-sodium, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | lithium sulfate monohydrate, hepes-sodium, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | lithium sulfate monohydrate, hepes-sodium, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | Tris-HCl | 25 (mM) | pH7.5 |
3 | 1 | reservoir | lithium sulfate | 1.5 (M) | |
4 | 1 | reservoir | sodium HEPES | 0.1 (M) | pH7.5 |