2IME

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-05-06
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	71.126, 75.833, 38.301
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.140 - 1.700
R-factor	0.18859
Rwork	0.186
R-free	0.23518
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	1.953
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	REFMAC
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.140	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.053	0.273
Number of reflections	23427
<I/σ(I)>	24.1	8.2
Completeness [%]	100.0	99.9
Redundancy	18.14	17.47

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