5CQN
GTB mutant without mercury - E303C
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 | 52.570, 149.820, 78.240 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.950 - 1.610 |
R-factor | 0.1851 |
Rwork | 0.184 |
R-free | 0.20650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lz0 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.476 |
Data reduction software | CrystalClear |
Data scaling software | d*TREK (9.4SSI) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 74.950 | 19.560 | 1.670 |
High resolution limit [Å] | 1.610 | 3.460 | 1.610 |
Rmerge | 0.037 | 0.019 | 0.318 |
Total number of observations | 176577 | 19399 | 14687 |
Number of reflections | 38967 | ||
<I/σ(I)> | 18.5 | 61.7 | 3.5 |
Completeness [%] | 96.4 | 89.8 | 97.4 |
Redundancy | 4.5 | 5.04 | 3.75 |
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 |