3QAH

Crystal structure of apo-form human MOF catalytic domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	45.913, 60.690, 124.368
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.070 - 2.100
R-factor	0.195
Rwork	0.193
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2giv
RMSD bond length	0.009
RMSD bond angle	0.990
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0070)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.100
Rmerge	0.096
Number of reflections	20135
Completeness [%]	95.7
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M Bis-Tris, 0.2M MgCl2, 25% PEG 3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K