2IMF

2-Hydroxychromene-2-carboxylate Isomerase: a Kappa Class Glutathione-S-Transferase from Pseudomonas putida

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-06-20
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	71.533, 75.818, 38.444
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.750 - 1.300
R-factor	0.18158
Rwork	0.180
R-free	0.20802
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	2.105
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.750	1.350
High resolution limit [Å]	1.300	1.300
Rmerge	0.054	0.334
Number of reflections	43839
<I/σ(I)>		2
Completeness [%]	87.4	52.4
Redundancy	12.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	microbatch under oil	6.1	294	crystallization solution: 1.2M sodium dihydrogen phosphate, 0.8M potassium hydrogen phosphate,0.2M lithium sulfate, 0.1M CAPS pH 6.1. Protein and crystallization solutions were mixed 1:1., microbatch under oil, temperature 294K