4OHQ

Crystal structure of chloroplast triose phosphate isomerase from Arabidopsis thaliana

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-12
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 65 2 2
Unit cell lengths	100.920, 100.920, 221.820
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.880 - 2.150
R-factor	0.1722
Rwork	0.170
R-free	0.21170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.145
Data reduction software	MOSFLM
Data scaling software	Aimless (0.1.29)
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX (dev_1593)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.885	28.880	2.220
High resolution limit [Å]	2.150	8.860	2.150
Rmerge	0.091	0.044	0.796
Total number of observations		6816	43071
Number of reflections	37207
<I/σ(I)>	17	31.4	4.6
Completeness [%]	99.9	95	100
Redundancy	13.9	11	13.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	0.1 M HEPES Sodium, 1.4 M Sodium citrate tribasic dihydrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K