5ZEA

Crystal structure of the nucleotide-free mutant A3B3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-12-09
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.1
Spacegroup name	P 1 21 1
Unit cell lengths	180.840, 107.770, 193.370
Unit cell angles	90.00, 99.39, 90.00

Refinement procedure

Resolution	48.199 - 3.384
R-factor	0.2172
Rwork	0.215
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vr2
RMSD bond length	0.002
RMSD bond angle	0.435
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.199	48.199	3.590
High resolution limit [Å]	3.380	9.960	3.380
Rmerge	0.113	0.031	0.674
Rmeas	0.123	0.033	0.733
Total number of observations	683871
Number of reflections	101833	4153	15538
<I/σ(I)>	15.77	49.43	2.9
Completeness [%]	99.0	98.4	94.2
Redundancy	6.716	6.058	6.373
CC(1/2)	0.998	0.999	0.822

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	296	28% PEG 3350, 0.1 M Bis-Tris propane pH 6.5, 0.1 M NaCl, 0.1 M Ammonium acetate