6BVE

Triosephosphate isomerase of Synechocystis in complex with 2-Phosphoglycolic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002+
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-12-16
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54187
Spacegroup name	P 21 21 21
Unit cell lengths	72.880, 73.099, 85.175
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.471 - 1.780
R-factor	0.156
Rwork	0.154
R-free	0.19020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1BTM TRUNCATED TO POLY-A
RMSD bond length	0.008
RMSD bond angle	0.847
Data reduction software	d*TREK
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (1.12-2829-000)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	85.180	85.180	1.820
High resolution limit [Å]	1.780	9.080	1.780
Rmerge	0.073	0.026	0.355
Rmeas	0.078	0.028	0.393
Rpim	0.027	0.010	0.165
Number of reflections	44327	409	2483
<I/σ(I)>	17.6
Completeness [%]	100.0	99.9	100
Redundancy	8.1	7.1	5.5
CC(1/2)	0.999	1.000	0.903

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	292	0.2 M Calcium acetate hydrate, 0.1 M Sodium cacodylate trihydrate 6.5, 18 % w/v Polyethylene glycol 8,000