4Q0U

Crystal structure of Acinetobacter sp. DL28 L-ribose isomerase mutant E204Q in complex with L-ribose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-04-11
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	F 2 2 2
Unit cell lengths	96.730, 107.060, 118.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.450 - 1.980
R-factor	0.221
Rwork	0.221
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4q0p
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	MOLREP
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.500	2.050
High resolution limit [Å]	1.980	1.980
Rmerge	0.055	0.280
Number of reflections	21464
<I/σ(I)>	14.2	4.6
Completeness [%]	99.1	100
Redundancy	7.1	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	10-16%(v/v) PEG400, 0.2M NaCl, 0.1M HEPES, 0.02M Hexaammine cobalt(III) chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K