1MQ0
Crystal Structure of Human Cytidine Deaminase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU ULTRAX 18 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-07-19 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 52.398, 55.680, 90.689 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.450 - 2.400 |
Rwork | 0.217 |
R-free | 0.26200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jtk |
RMSD bond length | 0.006 |
RMSD bond angle | 23.700 * |
Data reduction software | CrystalClear ((MSC/RIGAKU)) |
Data scaling software | CrystalClear ((MSC/RIGAKU)) |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.450 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.090 | 0.330 * |
Number of reflections | 22165 * | |
<I/σ(I)> | 10.4 | 2.9 |
Completeness [%] | 97.1 | 98.1 |
Redundancy | 4.4 * | 4.5 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 4 * | sodium acetate, 2-methyl-2,4-pentane-diol, calcium chloride, synthetic inhibitor, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 36.3 (mg/ml) | |
2 | 1 | drop | inhibitor | 6.25 (mM) | |
3 | 1 | drop | beta-mercaptoethanol | 5 (mM) | pH7.5 |
4 | 1 | drop | 100 (mM) | ||
5 | 1 | drop | Tris | 20 (mM) | |
6 | 1 | reservoir | sodium acetate | 100 (mM) | pH4.6 |
7 | 1 | reservoir | MPD | 28-32 (%) | |
8 | 1 | reservoir | 10 (mM) |