1U2E

Crystal Structure of the C-C bond hydrolase MhpC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-10-15
Detector	ADSC QUANTUM 4
Wavelength(s)	0.87
Spacegroup name	P 21 21 2
Unit cell lengths	144.858, 144.154, 62.107
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
Rwork	0.219
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MAD structure of MhpC
RMSD bond length	0.005
RMSD bond angle	1.244
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.075	0.548
Number of reflections	71688
<I/σ(I)>	6.3	1.3
Completeness [%]	93.7	72.9
Redundancy	4.6	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	MPD, PEG 8000, Tris, Calcium chloride, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K