1NJA
THYMIDYLATE SYNTHASE, MUTATION, N229C WITH 2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (DCMP)
Experimental procedure
Detector technology | IMAGE PLATE |
Collection date | 1993-10-15 |
Detector | RIGAKU RAXIS IIC |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 78.700, 78.700, 230.600 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 7.000 - 2.500 |
R-factor | 0.18 |
Rwork | 0.180 |
RMSD bond length | 0.007 |
RMSD bond angle | 24.800 * |
Data reduction software | R-AXIS |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.200 |
Rmerge | 0.084 |
Total number of observations | 45354 * |
Number of reflections | 17232 |
Completeness [%] | 76.0 |
Redundancy | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7 | pH 7.0 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 3.5-6.0 (mg/ml) | |
2 | 1 | drop | dCMP | 2-20 (mM) | |
3 | 1 | drop | potassium phosphate | 40 (mM) | |
4 | 1 | drop | DTT | 1 (mM) | |
5 | 1 | drop | ammonium sulfate | 1-2 (%sat) | |
6 | 1 | reservoir | phosphate | 40 (mM) | |
7 | 1 | reservoir | DTT | ||
8 | 1 | reservoir | EDTA |