5CMI
GTA mutant without mercury - E303D
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 113 |
Detector technology | IMAGE PLATE |
Collection date | 2011-11-01 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 52.510, 149.570, 78.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.560 - 1.850 |
R-factor | 0.1834 |
Rwork | 0.181 |
R-free | 0.23320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lz0 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.629 |
Data reduction software | CrystalClear |
Data scaling software | d*TREK (9.4SSI) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 74.740 | 19.560 | 1.920 |
High resolution limit [Å] | 1.850 | 3.980 | 1.850 |
Rmerge | 0.060 | 0.031 | 0.336 |
Total number of observations | 121206 | 12826 | 11613 |
Number of reflections | 26045 | ||
<I/σ(I)> | 11.5 | 33.8 | 3.4 |
Completeness [%] | 97.4 | 92.3 | 99.8 |
Redundancy | 4.62 | 4.89 | 4.42 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 30-40 mg/ml protein, 1% PEG (w/v) 4000, 4.5% MPD (v/v), 0.1 M ammonium sulfate, 0.07 M NaCl, 0.05 M ADA buffer, pH 7.5, 5 mM MnCl2 against a reservoir containing 2.7% (w/v) PEG 4000, 7% (v/v) MPD, 0.32 M ammonium sulfate, 0.25 M NaCl, and 0.2 M ADA pH 7.5 |