4QFH

Structure of a glucose-6-phosphate isomerase from Trypanosoma cruzi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-16
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	69.840, 127.030, 72.400
Unit cell angles	90.00, 109.74, 90.00

Refinement procedure

Resolution	29.191 - 1.800
R-factor	0.1405
Rwork	0.139
R-free	0.17450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2o2c
RMSD bond length	0.007
RMSD bond angle	1.012
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (dev_1702)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.077	0.023	0.583
Number of reflections	108344
<I/σ(I)>	13.67	41.2	2.31
Completeness [%]	98.6	96.7	97.9
Redundancy	3.86

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	Morpheus screen, a8: 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD; 30mM of each MgCl2, CaCl2; 0.1 M MOPS/HEPES-Na, TrcrA.17127.a.B1.PS01519 at 25.0 mg/ml with 2.5mM glucose-6-phosphate; tray 251762a8, puck rjo4-3; cryo: direct, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 290K